N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2H-1,3-benzodioxole-5-carboxamide
N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y031-0516 |
| Compound Name: | N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 439.3 |
| Molecular Formula: | C23 H16 Cl2 N2 O3 |
| Smiles: | Cc1cc(C(C#N)c2ccc(cc2)[Cl])c(cc1NC(c1ccc2c(c1)OCO2)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7629 |
| logD: | 5.7621 |
| logSw: | -6.138 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.532 |
| InChI Key: | XCQYTDYOONTSMC-SFHVURJKSA-N |