N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(pyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(pyrimidin-2-yl)sulfanyl]acetamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | Y206-0763 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 344.46 |
| Molecular Formula: | C16 H16 N4 O S2 |
| Smiles: | C1CCc2c(C#N)c(NC(CSc3ncccn3)=O)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.9639 |
| logD: | 1.9311 |
| logSw: | -3.2715 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.376 |
| InChI Key: | NNSKYCUFPYBCCB-UHFFFAOYSA-N |