N-[3-(methylsulfanyl)phenyl]-2-{[7-oxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-{[7-oxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-[3-(methylsulfanyl)phenyl]-2-{[7-oxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L387-6242 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-{[7-oxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 487.66 |
| Molecular Formula: | C22 H25 N5 O2 S3 |
| Smiles: | CSc1cccc(c1)NC(CSC1=Nc2c(C(N1CC=C)=O)sc(n2)N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7766 |
| logD: | 4.7766 |
| logSw: | -4.4129 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.019 |
| InChI Key: | DYHYWDZJALDAMI-UHFFFAOYSA-N |