N-(3-chloro-4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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: | L862-0435 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-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: | 489.98 |
| Molecular Formula: | C22 H24 Cl N5 O4 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CN1C(N(CC=C)C(c2c1nc(N1CCCCC1)s2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4913 |
| logD: | 4.4911 |
| logSw: | -4.5708 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.852 |
| InChI Key: | FDEPJMLHFITCRK-UHFFFAOYSA-N |