CC(=O)c1c(N)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n(C)c1=O
이름: 3-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-1,8-naphthyridin-2-one
SMILES: CC(=O)c1c(N)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n(C)c1=O

Molecular Processing

Molecular formula
C23H16Cl3N3O2
Molecular weight
472.76
Exact mass
471.0308
XLogP
6.01
TPSA
77.98
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.087
Molar refractivity
127.3

Supplementary Information

InChIKey: PCAFDAFQSCZHCE-UHFFFAOYSA-N
동의어
CHEMBL2038113-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-1,8-naphthyridin-2(1H)-oneSCHEMBL3624388PCAFDAFQSCZHCE-UHFFFAOYSA-NBDBM50176432
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