CC(=O)Oc1ccc(C=CC(=O)Nc2cnc3c(C)cc(C)cc3c2-c2ccccc2Cl)cc1OC(C)=O
이름: 3-(3,4-diacetoxycinnamoylamino)-4-(2chlorophenyl)-6,8-dimethylquinoline
SMILES: CC(=O)Oc1ccc(C=CC(=O)Nc2cnc3c(C)cc(C)cc3c2-c2ccccc2Cl)cc1OC(C)=O

Molecular Processing

Molecular formula
C30H25ClN2O5
Molecular weight
528.99
Exact mass
528.1452
XLogP
6.67
TPSA
94.59
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
38
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
0.133
Molar refractivity
148.39

Supplementary Information

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