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]-N-[4-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
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]-N-[4-(trifluoromethyl)phenyl]acetamide
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]-N-[4-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | L862-0538 |
| Compound Name: | 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]-N-[4-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 493.51 |
| Molecular Formula: | C22 H22 F3 N5 O3 S |
| Smiles: | C=CCN1C(c2c(nc(N3CCCCC3)s2)N(CC(Nc2ccc(cc2)C(F)(F)F)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8535 |
| logD: | 4.8535 |
| logSw: | -4.6707 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.222 |
| InChI Key: | XPMTUEQQLMEPRU-UHFFFAOYSA-N |