2-[(1,3-dimethyl-2,4-dioxo-6-propyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[(1,3-dimethyl-2,4-dioxo-6-propyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
2-[(1,3-dimethyl-2,4-dioxo-6-propyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | G857-1045 |
| Compound Name: | 2-[(1,3-dimethyl-2,4-dioxo-6-propyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C20 H21 N5 O5 S |
| Smiles: | CCCc1cnc2c(C(N(C)C(N2C)=O)=O)c1SCC(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5607 |
| logD: | 3.5589 |
| logSw: | -3.8763 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.021 |
| InChI Key: | JTSQNDYMXFSFGX-UHFFFAOYSA-N |