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Home > Other Building Blocks > 264618-38-4
264618-38-4 |
CAS No: 264618-38-4 Catalog No: AG01FGAW MDL No:
Product Description
Catalog Number:
AG01FGAW
CAS Number:
264618-38-4
Molecular Formula:
C35H43Cl3N4O2
Molecular Weight:
658.1005
IUPAC Name:
3-[1-[3-[(3R)-1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-1,1-dimethylurea;hydrochloride
InChI:
InChI=1S/C35H42Cl2N4O2.ClH/c1-39(2)33(43)38-35(28-13-7-4-8-14-28)19-23-40(24-20-35)21-9-17-34(29-15-16-30(36)31(37)25-29)18-10-22-41(26-34)32(42)27-11-5-3-6-12-27;/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3,(H,38,43);1H/t34-;/m0./s1
InChI Key:
HYPKKQPFHSNZBY-GXUZKUJRSA-N
SMILES:
CN(C(=O)NC1(CCN(CC1)CCC[C@@]1(CCCN(C1)C(=O)c1ccccc1)c1ccc(c(c1)Cl)Cl)c1ccccc1)C.Cl
Properties
Complexity:
914
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
656.245g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
658.105g/mol
Monoisotopic Mass:
656.245g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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