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156661-42-6 | Hexanamide, 2-(acetylamino)-6-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, (2S)-
CAS No: 156661-42-6 Catalog No: AG001OVV MDL No:
Product Description
Catalog Number:
AG001OVV
Chemical Name:
Hexanamide, 2-(acetylamino)-6-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, (2S)-
CAS Number:
156661-42-6
Molecular Formula:
C18H23N3O4
Molecular Weight:
345.3929
IUPAC Name:
(2S)-2-acetamido-6-amino-N-(4-methyl-2-oxochromen-7-yl)hexanamide
InChI:
InChI=1S/C18H23N3O4/c1-11-9-17(23)25-16-10-13(6-7-14(11)16)21-18(24)15(20-12(2)22)5-3-4-8-19/h6-7,9-10,15H,3-5,8,19H2,1-2H3,(H,20,22)(H,21,24)/t15-/m0/s1
InChI Key:
NBOQAQRQQNJREL-HNNXBMFYSA-N
SMILES:
NCCCC[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)NC(=O)C
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
345.169g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
345.399g/mol
Monoisotopic Mass:
345.169g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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