4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(diethylcarbamoyl)phenyl}-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(diethylcarbamoyl)phenyl}-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(diethylcarbamoyl)phenyl}-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V024-7773 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(diethylcarbamoyl)phenyl}-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 571.68 |
| Molecular Formula: | C32 H37 N5 O5 |
| Salt: | not_available |
| Smiles: | CCN(CC)C(c1cc(ccc1N1CCCN(CC1)C(Nc1cccc(C)c1)=O)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7324 |
| logD: | 4.7284 |
| logSw: | -4.3636 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.137 |
| InChI Key: | ZILPBSUVVRTYPM-UHFFFAOYSA-N |