N-{3-[benzyl(methyl)carbamoyl]-4-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{3-[benzyl(methyl)carbamoyl]-4-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
N-{3-[benzyl(methyl)carbamoyl]-4-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V028-1172 |
| Compound Name: | N-{3-[benzyl(methyl)carbamoyl]-4-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 620.71 |
| Molecular Formula: | C36 H36 N4 O6 |
| Salt: | not_available |
| Smiles: | CN(Cc1ccccc1)C(c1cc(ccc1N1CCCN(CC1)C(c1ccc(cc1)OC)=O)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1559 |
| logD: | 5.1558 |
| logSw: | -4.9599 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.078 |
| InChI Key: | SEESJFSNOQPXPK-UHFFFAOYSA-N |