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OT-R antagonist 2

CAS No.:
364071-16-9
Catalog Number:
AG00C6LK
Molecular Formula:
C28H29N3O4
Molecular Weight:
471.5476
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Product Description
Catalog Number:
AG00C6LK
Chemical Name:
OT-R antagonist 2
CAS Number:
364071-16-9
Molecular Formula:
C28H29N3O4
Molecular Weight:
471.5476
MDL Number:
MFCD29924750
IUPAC Name:
N-(2-hydroxy-2-phenylethyl)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C28H29N3O4/c1-19-8-6-7-11-24(19)20-12-14-22(15-13-20)28(34)31-18-23(30-35-2)16-25(31)27(33)29-17-26(32)21-9-4-3-5-10-21/h3-15,25-26,32H,16-18H2,1-2H3,(H,29,33)
InChI Key:
IBXGJPAYWMFXSF-UHFFFAOYSA-N
SMILES:
CO/N=C\1/CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C
Properties
Complexity:
743  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
471.216g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
471.557g/mol
Monoisotopic Mass:
471.216g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.7  
Properties