Home Aminos Carbamic acid, N-[[(2R)-3-(2,2-dimethyl-1-oxopropyl)-5-[(2,2-dimethyl-1-oxopropyl)amino]-2,3-dihydro-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]-, 1,1-dimethylethyl ester

Carbamic acid, N-[[(2R)-3-(2,2-dimethyl-1-oxopropyl)-5-[(2,2-dimethyl-1-oxopropyl)amino]-2,3-dihydro-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]-, 1,1-dimethylethyl ester

CAS No.:
910634-47-8
Catalog Number:
AG00GUAR
Molecular Formula:
C24H36N4O4S
Molecular Weight:
476.6320
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Product Description
Catalog Number:
AG00GUAR
Chemical Name:
Carbamic acid, N-[[(2R)-3-(2,2-dimethyl-1-oxopropyl)-5-[(2,2-dimethyl-1-oxopropyl)amino]-2,3-dihydro-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
910634-47-8
Molecular Formula:
C24H36N4O4S
Molecular Weight:
476.6320
MDL Number:
MFCD29924774
IUPAC Name:
tert-butyl N-[[(2R)-3-(2,2-dimethylpropanoyl)-5-(2,2-dimethylpropanoylamino)-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]carbamate
InChI:
InChI=1S/C24H36N4O4S/c1-21(2,3)17(29)26-19-27-28(18(30)22(4,5)6)24(33-19,16-13-11-10-12-14-16)15-25-20(31)32-23(7,8)9/h10-14H,15H2,1-9H3,(H,25,31)(H,26,27,29)/t24-/m0/s1
InChI Key:
XKRUSPJJCNJSEP-DEOSSOPVSA-N
SMILES:
O=C(OC(C)(C)C)NC[C@]1(SC(=NN1C(=O)C(C)(C)C)NC(=O)C(C)(C)C)c1ccccc1
Properties
Complexity:
786  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
476.246g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
476.636g/mol
Monoisotopic Mass:
476.246g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties