N-(5-chloro-2-methylphenyl)-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-(5-chloro-2-methylphenyl)-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-(5-chloro-2-methylphenyl)-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: | L387-6208 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-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: | 490.04 |
| Molecular Formula: | C22 H24 Cl N5 O2 S2 |
| Smiles: | Cc1ccc(cc1NC(CSC1=Nc2c(C(N1CC=C)=O)sc(n2)N1CCCCC1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.7728 |
| logD: | 4.7727 |
| logSw: | -4.7442 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.321 |
| InChI Key: | KUUZXOYHYMCMGQ-UHFFFAOYSA-N |