N-(3-chloro-4-fluorophenyl)-2-{[7-oxo-6-(prop-2-en-1-yl)-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{[7-oxo-6-(prop-2-en-1-yl)-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{[7-oxo-6-(prop-2-en-1-yl)-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L387-6999 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[7-oxo-6-(prop-2-en-1-yl)-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 479.98 |
| Molecular Formula: | C20 H19 Cl F N5 O2 S2 |
| Smiles: | C=CCN1C(=Nc2c(C1=O)sc(n2)N1CCCC1)SCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7426 |
| logD: | 4.7377 |
| logSw: | -4.9336 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.385 |
| InChI Key: | PFAGLDVOSSPAMI-UHFFFAOYSA-N |