4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(diethylcarbamoyl)phenyl}-N-(4-methylphenyl)piperazine-1-carboxamide
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(diethylcarbamoyl)phenyl}-N-(4-methylphenyl)piperazine-1-carboxamide
4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(diethylcarbamoyl)phenyl}-N-(4-methylphenyl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V005-1925 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(diethylcarbamoyl)phenyl}-N-(4-methylphenyl)piperazine-1-carboxamide |
| Molecular Weight: | 557.65 |
| Molecular Formula: | C31 H35 N5 O5 |
| Salt: | not_available |
| Smiles: | CCN(CC)C(c1cc(ccc1N1CCN(CC1)C(Nc1ccc(C)cc1)=O)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5275 |
| logD: | 4.5273 |
| logSw: | -4.2144 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.806 |
| InChI Key: | CMBBPLHOCKRZAJ-UHFFFAOYSA-N |