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1421020-30-5 | Carbamic acid, N-[(1S)-1-[[[(6-chloro-3-pyridinyl)methyl]ethylamino]carbonyl]-2-methylpropyl]-, 1,1-dimethylethyl ester
CAS No: 1421020-30-5 Catalog No: AG001HSL MDL No:
Product Description
Catalog Number:
AG001HSL
Chemical Name:
Carbamic acid, N-[(1S)-1-[[[(6-chloro-3-pyridinyl)methyl]ethylamino]carbonyl]-2-methylpropyl]-, 1,1-dimethylethyl ester
CAS Number:
1421020-30-5
Molecular Formula:
C18H28ClN3O3
Molecular Weight:
369.8862
IUPAC Name:
tert-butyl N-[(2S)-1-[(6-chloropyridin-3-yl)methyl-ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
InChI:
InChI=1S/C18H28ClN3O3/c1-7-22(11-13-8-9-14(19)20-10-13)16(23)15(12(2)3)21-17(24)25-18(4,5)6/h8-10,12,15H,7,11H2,1-6H3,(H,21,24)/t15-/m0/s1
InChI Key:
VFORTKBYYAIADV-HNNXBMFYSA-N
SMILES:
CCN(C(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)Cc1ccc(nc1)Cl
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
369.182g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.89g/mol
Monoisotopic Mass:
369.182g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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