6-butyl-1,3-dimethyl-5-{[(3-nitrophenyl)methyl]sulfanyl}pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-butyl-1,3-dimethyl-5-{[(3-nitrophenyl)methyl]sulfanyl}pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
6-butyl-1,3-dimethyl-5-{[(3-nitrophenyl)methyl]sulfanyl}pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G721-0251 |
| Compound Name: | 6-butyl-1,3-dimethyl-5-{[(3-nitrophenyl)methyl]sulfanyl}pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C20 H22 N4 O4 S |
| Smiles: | CCCCc1cnc2c(C(N(C)C(N2C)=O)=O)c1SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4475 |
| logD: | 4.4471 |
| logSw: | -4.4701 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.872 |
| InChI Key: | LZOBXQPPTXWSAY-UHFFFAOYSA-N |