methyl 4-(2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G721-0059 |
| Compound Name: | methyl 4-(2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C22 H24 N4 O5 S |
| Smiles: | CC(C)c1cnc2c(C(N(C)C(N2C)=O)=O)c1SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.453 |
| logD: | 3.452 |
| logSw: | -3.7506 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.813 |
| InChI Key: | QTMOJQFYQPNKNV-UHFFFAOYSA-N |