N-(4-chloro-2-fluorophenyl)-2-{[6-ethyl-2-(4-methylpiperidin-1-yl)-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-2-{[6-ethyl-2-(4-methylpiperidin-1-yl)-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(4-chloro-2-fluorophenyl)-2-{[6-ethyl-2-(4-methylpiperidin-1-yl)-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L387-4087 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-2-{[6-ethyl-2-(4-methylpiperidin-1-yl)-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 496.02 |
| Molecular Formula: | C21 H23 Cl F N5 O2 S2 |
| Smiles: | CCN1C(=Nc2c(C1=O)sc(n2)N1CCC(C)CC1)SCC(Nc1ccc(cc1F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.082 |
| logD: | 5.077 |
| logSw: | -5.2545 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.068 |
| InChI Key: | MRQNVNXHPASEFH-UHFFFAOYSA-N |