N-[2-(azepan-1-yl)ethyl]-3-{[2-(4-methylphenyl)pyrimidin-4-yl]amino}benzamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-3-{[2-(4-methylphenyl)pyrimidin-4-yl]amino}benzamide
N-[2-(azepan-1-yl)ethyl]-3-{[2-(4-methylphenyl)pyrimidin-4-yl]amino}benzamide
Compound characteristics
| Compound ID: | F871-0721 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-3-{[2-(4-methylphenyl)pyrimidin-4-yl]amino}benzamide |
| Molecular Weight: | 429.56 |
| Molecular Formula: | C26 H31 N5 O |
| Smiles: | Cc1ccc(cc1)c1nccc(Nc2cccc(c2)C(NCCN2CCCCCC2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.9843 |
| logD: | 4.0075 |
| logSw: | -4.4716 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.018 |
| InChI Key: | JETOUETXXIGPJZ-UHFFFAOYSA-N |