methyl 2-{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]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{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]acetamido}benzoate
methyl 2-{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]acetamido}benzoate
Compound characteristics
| Compound ID: | L862-0454 |
| Compound Name: | methyl 2-{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]acetamido}benzoate |
| Molecular Weight: | 483.55 |
| Molecular Formula: | C23 H25 N5 O5 S |
| Smiles: | COC(c1ccccc1NC(CN1C(N(CC=C)C(c2c1nc(N1CCCCC1)s2)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7053 |
| logD: | 3.6943 |
| logSw: | -3.8393 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.698 |
| InChI Key: | VVKIGNZDHFQONZ-UHFFFAOYSA-N |