N-[6-(4-{[4-(dimethylamino)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]-3-methylbenzamide
Chemical Structure Depiction of
N-[6-(4-{[4-(dimethylamino)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]-3-methylbenzamide
N-[6-(4-{[4-(dimethylamino)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]-3-methylbenzamide
Compound characteristics
| Compound ID: | V012-7933 |
| Compound Name: | N-[6-(4-{[4-(dimethylamino)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]-3-methylbenzamide |
| Molecular Weight: | 443.59 |
| Molecular Formula: | C27 H33 N5 O |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)C(Nc1ccc(nc1)N1CCCN(CC1)Cc1ccc(cc1)N(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9311 |
| logD: | 4.7668 |
| logSw: | -4.4587 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.059 |
| InChI Key: | XRISWIFPFMOHRA-UHFFFAOYSA-N |