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88971-42-0 | Propanamide, 2,3-diamino-N-(diphenylmethyl)-, (S)-
CAS No: 88971-42-0 Catalog No: AG0045C2 MDL No:
Product Description
Catalog Number:
AG0045C2
Chemical Name:
Propanamide, 2,3-diamino-N-(diphenylmethyl)-, (S)-
CAS Number:
88971-42-0
Molecular Formula:
C16H19N3O
Molecular Weight:
269.3416
IUPAC Name:
(2S)-2,3-diamino-N-benzhydrylpropanamide
InChI:
InChI=1S/C16H19N3O/c17-11-14(18)16(20)19-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15H,11,17-18H2,(H,19,20)/t14-/m0/s1
InChI Key:
VIVRGJPDLJKAAM-AWEZNQCLSA-N
SMILES:
NC[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
269.153g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
269.348g/mol
Monoisotopic Mass:
269.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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