N-[6-(4-{[4-(dimethylamino)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]-2-phenoxyacetamide
Chemical Structure Depiction of
N-[6-(4-{[4-(dimethylamino)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]-2-phenoxyacetamide
N-[6-(4-{[4-(dimethylamino)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]-2-phenoxyacetamide
Compound characteristics
| Compound ID: | V012-6952 |
| Compound Name: | N-[6-(4-{[4-(dimethylamino)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]-2-phenoxyacetamide |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C27 H33 N5 O2 |
| Salt: | not_available |
| Smiles: | CN(C)c1ccc(CN2CCCN(CC2)c2ccc(cn2)NC(COc2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5658 |
| logD: | 4.4024 |
| logSw: | -4.0542 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.345 |
| InChI Key: | UPLGDCHYYGSNKM-UHFFFAOYSA-N |