1,3-dimethyl-5-{[(3-nitrophenyl)methyl]sulfanyl}-6-(propan-2-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1,3-dimethyl-5-{[(3-nitrophenyl)methyl]sulfanyl}-6-(propan-2-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
1,3-dimethyl-5-{[(3-nitrophenyl)methyl]sulfanyl}-6-(propan-2-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G721-0103 |
| Compound Name: | 1,3-dimethyl-5-{[(3-nitrophenyl)methyl]sulfanyl}-6-(propan-2-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C19 H20 N4 O4 S |
| Smiles: | CC(C)c1cnc2c(C(N(C)C(N2C)=O)=O)c1SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8265 |
| logD: | 3.8244 |
| logSw: | -3.9492 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.872 |
| InChI Key: | DSZMRUBRRSJFIV-UHFFFAOYSA-N |