N-{3-(diethylcarbamoyl)-4-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{3-(diethylcarbamoyl)-4-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
N-{3-(diethylcarbamoyl)-4-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V025-4257 |
| Compound Name: | N-{3-(diethylcarbamoyl)-4-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 572.66 |
| Molecular Formula: | C32 H36 N4 O6 |
| Salt: | not_available |
| Smiles: | CCN(CC)C(c1cc(ccc1N1CCCN(CC1)C(c1ccc(cc1)OC)=O)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9945 |
| logD: | 3.9944 |
| logSw: | -4.1525 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.86 |
| InChI Key: | SNPRRBXFVJRDRD-UHFFFAOYSA-N |