methyl 4-(2-{[2-(diethylamino)-7-oxo-6-(propan-2-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[2-(diethylamino)-7-oxo-6-(propan-2-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[2-(diethylamino)-7-oxo-6-(propan-2-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | L387-1418 |
| Compound Name: | methyl 4-(2-{[2-(diethylamino)-7-oxo-6-(propan-2-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 489.61 |
| Molecular Formula: | C22 H27 N5 O4 S2 |
| Smiles: | CCN(CC)c1nc2c(C(N(C(C)C)C(=N2)SCC(Nc2ccc(cc2)C(=O)OC)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4077 |
| logD: | 4.4076 |
| logSw: | -4.2335 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.219 |
| InChI Key: | DNKXOWFRVKTWEY-UHFFFAOYSA-N |