methyl 2-(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 2-(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 2-(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: | L387-1426 |
| Compound Name: | methyl 2-(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(Nc2ccccc2C(=O)OC)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0415 |
| logD: | 4.0332 |
| logSw: | -4.2066 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.521 |
| InChI Key: | UJKRQYYJGWTPCH-UHFFFAOYSA-N |