N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[6-ethyl-7-oxo-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[6-ethyl-7-oxo-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[6-ethyl-7-oxo-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L387-4938 |
| Compound Name: | N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[6-ethyl-7-oxo-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 494.03 |
| Molecular Formula: | C21 H24 Cl N5 O3 S2 |
| Smiles: | CCN1C(=Nc2c(C1=O)sc(n2)N1CCCC1)SCC(Nc1cc(C)c(cc1OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7774 |
| logD: | 4.7762 |
| logSw: | -4.8998 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.064 |
| InChI Key: | QKVWWRODMCLZIB-UHFFFAOYSA-N |