2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F813-2860 |
| Compound Name: | 2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide |
| Molecular Weight: | 448.01 |
| Molecular Formula: | C20 H22 Cl N5 O S2 |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSc1c2c(ncn1)nc(N1CCCCCC1)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0091 |
| logD: | 6.0089 |
| logSw: | -6.0519 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.703 |
| InChI Key: | XJYHDFDOQPIRCP-UHFFFAOYSA-N |