N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2,2-dimethylpropanamide
Chemical Structure Depiction of
N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2,2-dimethylpropanamide
N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2,2-dimethylpropanamide
Compound characteristics
| Compound ID: | V012-6292 |
| Compound Name: | N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2,2-dimethylpropanamide |
| Molecular Weight: | 449.38 |
| Molecular Formula: | C22 H26 Cl2 N4 O2 |
| Salt: | not_available |
| Smiles: | CC(C)(C)C(Nc1ccc(nc1)N1CCCN(CC1)C(c1ccc(cc1[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6645 |
| logD: | 4.6643 |
| logSw: | -4.8645 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.442 |
| InChI Key: | VKYLHHUOJILVOS-UHFFFAOYSA-N |