N-[(4-methylphenyl)methyl]-N-{3-[2-oxo-2-(propylamino)ethyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-N-{3-[2-oxo-2-(propylamino)ethyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
N-[(4-methylphenyl)methyl]-N-{3-[2-oxo-2-(propylamino)ethyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V024-1691 |
| Compound Name: | N-[(4-methylphenyl)methyl]-N-{3-[2-oxo-2-(propylamino)ethyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C27 H28 N2 O4 |
| Smiles: | CCCNC(Cc1cccc(c1)N(Cc1ccc(C)cc1)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4681 |
| logD: | 4.4681 |
| logSw: | -4.3635 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.018 |
| InChI Key: | JWOZZTIYBAKCJC-UHFFFAOYSA-N |