Home Sulfos Carbamic acid, N-[[[2-[[4-[4-(3-bromo-4-fluorophenyl)-4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]amino]sulfonyl]-, 9H-fluoren-9-ylmethyl ester

Carbamic acid, N-[[[2-[[4-[4-(3-bromo-4-fluorophenyl)-4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]amino]sulfonyl]-, 9H-fluoren-9-ylmethyl ester

CAS No.:
1771804-78-4
Catalog Number:
AG00IM4U
Molecular Formula:
C27H21BrFN7O7S
Molecular Weight:
686.4657
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Product Description
Catalog Number:
AG00IM4U
Chemical Name:
Carbamic acid, N-[[[2-[[4-[4-(3-bromo-4-fluorophenyl)-4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]amino]sulfonyl]-, 9H-fluoren-9-ylmethyl ester
CAS Number:
1771804-78-4
Molecular Formula:
C27H21BrFN7O7S
Molecular Weight:
686.4657
MDL Number:
MFCD30536401
IUPAC Name:
9H-fluoren-9-ylmethyl N-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethylsulfamoyl]carbamate
InChI:
InChI=1S/C27H21BrFN7O7S/c28-21-13-15(9-10-22(21)29)36-25(34-42-27(36)38)23-24(33-43-32-23)30-11-12-31-44(39,40)35-26(37)41-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,13,20,31H,11-12,14H2,(H,30,33)(H,35,37)
InChI Key:
WRGDDDWWOQOVKI-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)NCCNc1nonc1c1noc(=O)n1c1ccc(c(c1)Br)F)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
1170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
685.039g/mol
Formal Charge:
0
Heavy Atom Count:
44  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
686.469g/mol
Monoisotopic Mass:
685.039g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
186A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties