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1258545-28-6 | Carbamic acid, N,N-dimethyl-, (3S)-3-amino-3,4-dihydro-2-oxo-6-phenoxy-1(2H)-quinolinyl ester
CAS No: 1258545-28-6 Catalog No: AG000OU8 MDL No:MFCD22419411
Product Description
Catalog Number:
AG000OU8
Chemical Name:
Carbamic acid, N,N-dimethyl-, (3S)-3-amino-3,4-dihydro-2-oxo-6-phenoxy-1(2H)-quinolinyl ester
CAS Number:
1258545-28-6
Molecular Formula:
C18H19N3O4
Molecular Weight:
341.3612
MDL Number:
MFCD22419411
IUPAC Name:
[(3S)-3-amino-2-oxo-6-phenoxy-3,4-dihydroquinolin-1-yl] N,N-dimethylcarbamate
InChI:
InChI=1S/C18H19N3O4/c1-20(2)18(23)25-21-16-9-8-14(24-13-6-4-3-5-7-13)10-12(16)11-15(19)17(21)22/h3-10,15H,11,19H2,1-2H3/t15-/m0/s1
InChI Key:
HSMJZDISXPNYOT-HNNXBMFYSA-N
SMILES:
CN(C(=O)ON1C(=O)[C@@H](N)Cc2c1ccc(c2)Oc1ccccc1)C
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
341.138g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.367g/mol
Monoisotopic Mass:
341.138g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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