N-(10-cyano-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-[(pyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(10-cyano-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-[(pyrimidin-2-yl)sulfanyl]acetamide
N-(10-cyano-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-[(pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8019-4057 |
| Compound Name: | N-(10-cyano-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-[(pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C21 H22 N4 O S |
| Smiles: | C1CCc2c(C1)c1CCCCc1c(c2C#N)NC(CSc1ncccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8905 |
| logD: | 3.8903 |
| logSw: | -4.1675 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.775 |
| InChI Key: | PJZHISSPYXHFJP-UHFFFAOYSA-N |