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138517-61-0 | Benzamide, N,N'-(1R,2R)-1,2-cyclohexanediylbis[2-(diphenylphosphino)-
CAS No: 138517-61-0 Catalog No: AG0019CL MDL No:MFCD01631273
Product Description
Catalog Number:
AG0019CL
Chemical Name:
Benzamide, N,N'-(1R,2R)-1,2-cyclohexanediylbis[2-(diphenylphosphino)-
CAS Number:
138517-61-0
Molecular Formula:
C44H40N2O2P2
Molecular Weight:
690.7481
MDL Number:
MFCD01631273
IUPAC Name:
2-diphenylphosphanyl-N-[(1R,2R)-2-[(2-diphenylphosphanylbenzoyl)amino]cyclohexyl]benzamide
InChI:
InChI=1S/C44H40N2O2P2/c47-43(37-27-13-17-31-41(37)49(33-19-5-1-6-20-33)34-21-7-2-8-22-34)45-39-29-15-16-30-40(39)46-44(48)38-28-14-18-32-42(38)50(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-14,17-28,31-32,39-40H,15-16,29-30H2,(H,45,47)(H,46,48)/t39-,40-/m1/s1
InChI Key:
AXMSEDAJMGFTLR-XRSDMRJBSA-N
SMILES:
O=C(c1ccccc1P(c1ccccc1)c1ccccc1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1
Properties
Complexity:
929
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
690.257g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
690.764g/mol
Monoisotopic Mass:
690.257g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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