methyl 2-{2-[2-(diethylamino)-5,7-dioxo-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-[2-(diethylamino)-5,7-dioxo-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamido}benzoate
methyl 2-{2-[2-(diethylamino)-5,7-dioxo-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: | L862-0742 |
| Compound Name: | methyl 2-{2-[2-(diethylamino)-5,7-dioxo-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamido}benzoate |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C22 H25 N5 O5 S |
| Smiles: | CCN(CC)c1nc2c(C(N(CC=C)C(N2CC(Nc2ccccc2C(=O)OC)=O)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.503 |
| logD: | 3.492 |
| logSw: | -3.6467 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.982 |
| InChI Key: | YSECHNBQBRIEOP-UHFFFAOYSA-N |