N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-methylpropanamide
Chemical Structure Depiction of
N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-methylpropanamide
N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-methylpropanamide
Compound characteristics
| Compound ID: | V021-0877 |
| Compound Name: | N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-methylpropanamide |
| Molecular Weight: | 435.35 |
| Molecular Formula: | C21 H24 Cl2 N4 O2 |
| Smiles: | CC(C)C(Nc1ccc(nc1)N1CCCN(CC1)C(c1ccc(cc1[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4137 |
| logD: | 4.4133 |
| logSw: | -4.5438 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.442 |
| InChI Key: | NVCIYDNGWGZWKZ-UHFFFAOYSA-N |