1-(azepan-1-yl)-2-[(6-phenylpyrimidin-4-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-[(6-phenylpyrimidin-4-yl)sulfanyl]ethan-1-one
1-(azepan-1-yl)-2-[(6-phenylpyrimidin-4-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | D306-0107 |
| Compound Name: | 1-(azepan-1-yl)-2-[(6-phenylpyrimidin-4-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 327.45 |
| Molecular Formula: | C18 H21 N3 O S |
| Smiles: | C1CCCN(CC1)C(CSc1cc(c2ccccc2)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.78 |
| logD: | 3.7799 |
| logSw: | -3.893 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.59 |
| InChI Key: | IPAWUNALHVNCSH-UHFFFAOYSA-N |