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916141-36-1 | N-[1,1'-Biphenyl]-2-yl-1-[2-[(1-methyl-1H-benzimidazol-2-yl)thio]acetyl-2-pyrrolidinedicarboxamide
CAS No: 916141-36-1 Catalog No: AG00GU6P MDL No:MFCD18086894
Product Description
Catalog Number:
AG00GU6P
Chemical Name:
N-[1,1'-Biphenyl]-2-yl-1-[2-[(1-methyl-1H-benzimidazol-2-yl)thio]acetyl-2-pyrrolidinedicarboxamide
CAS Number:
916141-36-1
Molecular Formula:
C27H26N4O2S
Molecular Weight:
470.5859
MDL Number:
MFCD18086894
IUPAC Name:
(2S)-1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
InChI:
InChI=1S/C27H26N4O2S/c1-30-23-15-8-7-14-22(23)29-27(30)34-18-25(32)31-17-9-16-24(31)26(33)28-21-13-6-5-12-20(21)19-10-3-2-4-11-19/h2-8,10-15,24H,9,16-18H2,1H3,(H,28,33)/t24-/m0/s1
InChI Key:
YSBGRVXJEMSEQY-DEOSSOPVSA-N
SMILES:
O=C([C@H]1CCCN1C(=O)CSc1nc2c(n1C)cccc2)Nc1ccccc1c1ccccc1
Properties
Complexity:
715
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
470.178g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
470.591g/mol
Monoisotopic Mass:
470.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| Orexin receptor antagonism prevents transcriptional and behavioral plasticity resulting from stimulant exposure. | Neuropharmacology 20100101 |
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