N-(3-chloro-4-fluorophenyl)-2-[5,7-dioxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-[5,7-dioxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide
N-(3-chloro-4-fluorophenyl)-2-[5,7-dioxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide
Compound characteristics
| Compound ID: | L862-0528 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-[5,7-dioxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide |
| Molecular Weight: | 477.94 |
| Molecular Formula: | C21 H21 Cl F N5 O3 S |
| Smiles: | C=CCN1C(c2c(nc(N3CCCCC3)s2)N(CC(Nc2ccc(c(c2)[Cl])F)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7109 |
| logD: | 4.7044 |
| logSw: | -4.8855 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.222 |
| InChI Key: | FBBLCQZSGXZDBG-UHFFFAOYSA-N |