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143841-75-2 | 5H-1,4-Diazepin-5-one, hexahydro-2,7-diphenyl-, (2R,7R)-rel-
CAS No: 143841-75-2 Catalog No: AG001IGQ MDL No:
Product Description
Catalog Number:
AG001IGQ
Chemical Name:
5H-1,4-Diazepin-5-one, hexahydro-2,7-diphenyl-, (2R,7R)-rel-
CAS Number:
143841-75-2
Molecular Formula:
C17H18N2O
Molecular Weight:
266.3376
IUPAC Name:
2,7-diphenyl-1,4-diazepan-5-one
InChI:
InChI=1S/C17H18N2O/c20-17-11-15(13-7-3-1-4-8-13)19-16(12-18-17)14-9-5-2-6-10-14/h1-10,15-16,19H,11-12H2,(H,18,20)
InChI Key:
HXCFNDCBTPQSCI-UHFFFAOYSA-N
SMILES:
O=C1NC[C@H](N[C@H](C1)c1ccccc1)c1ccccc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.344g/mol
Monoisotopic Mass:
266.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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