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BMS 201038-04

CAS No.:
202914-84-9
Catalog Number:
AG00BF66
Molecular Formula:
C40H41F6N3O5S
Molecular Weight:
789.8261
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Product Description
Catalog Number:
AG00BF66
Chemical Name:
BMS 201038-04
CAS Number:
202914-84-9
Molecular Formula:
C40H41F6N3O5S
Molecular Weight:
789.8261
MDL Number:
MFCD19443682
IUPAC Name:
methanesulfonic acid;N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide
InChI:
InChI=1S/C39H37F6N3O2.CH4O3S/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45;1-5(2,3)4/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49);1H3,(H,2,3,4)
InChI Key:
QKVKOFVWUHNEBX-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.O=C(c1ccccc1c1ccc(cc1)C(F)(F)F)NC1CCN(CC1)CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2c2c1cccc2
UNII:
X4S83CP54E
Properties
Complexity:
1200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
789.267g/mol
Formal Charge:
0
Heavy Atom Count:
55  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
789.834g/mol
Monoisotopic Mass:
789.267g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties