N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V024-4468 |
| Compound Name: | N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 513.38 |
| Molecular Formula: | C25 H22 Cl2 N4 O4 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(cn1)NC(c1ccc2c(c1)OCO2)=O)C(c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9959 |
| logD: | 4.9956 |
| logSw: | -5.1558 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.286 |
| InChI Key: | VVXOXTPMJSZXDZ-UHFFFAOYSA-N |