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1421011-75-7 | Carbamic acid, N-[(1S)-2-[[(6-chloro-3-pyridinyl)methyl]methylamino]-1-methyl-2-oxoethyl]-, phenylmethyl ester
CAS No: 1421011-75-7 Catalog No: AG001HSP MDL No:
Product Description
Catalog Number:
AG001HSP
Chemical Name:
Carbamic acid, N-[(1S)-2-[[(6-chloro-3-pyridinyl)methyl]methylamino]-1-methyl-2-oxoethyl]-, phenylmethyl ester
CAS Number:
1421011-75-7
Molecular Formula:
C18H20ClN3O3
Molecular Weight:
361.8227
IUPAC Name:
benzyl N-[(2S)-1-[(6-chloropyridin-3-yl)methyl-methylamino]-1-oxopropan-2-yl]carbamate
InChI:
InChI=1S/C18H20ClN3O3/c1-13(21-18(24)25-12-14-6-4-3-5-7-14)17(23)22(2)11-15-8-9-16(19)20-10-15/h3-10,13H,11-12H2,1-2H3,(H,21,24)/t13-/m0/s1
InChI Key:
MULAKTMBTMESTD-ZDUSSCGKSA-N
SMILES:
O=C(N[C@H](C(=O)N(Cc1ccc(nc1)Cl)C)C)OCc1ccccc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
361.119g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.826g/mol
Monoisotopic Mass:
361.119g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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