methyl 4-{2-[(6-butyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(6-butyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(6-butyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G721-0208 |
| Compound Name: | methyl 4-{2-[(6-butyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C23 H26 N4 O5 S |
| Smiles: | CCCCc1cnc2c(C(N(C)C(N2C)=O)=O)c1SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.074 |
| logD: | 4.0737 |
| logSw: | -4.2584 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.813 |
| InChI Key: | HVBZEZLZSNUFGU-UHFFFAOYSA-N |