N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2,4-dimethoxybenzamide
N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | V012-5446 |
| Compound Name: | N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2,4-dimethoxybenzamide |
| Molecular Weight: | 529.42 |
| Molecular Formula: | C26 H26 Cl2 N4 O4 |
| Salt: | not_available |
| Smiles: | COc1ccc(C(Nc2ccc(nc2)N2CCCN(CC2)C(c2ccc(cc2[Cl])[Cl])=O)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.098 |
| logD: | 5.0953 |
| logSw: | -5.4011 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.344 |
| InChI Key: | KSDDPTNRUFGWKL-UHFFFAOYSA-N |