ethyl 4-amino-2-{[1-(4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[1-(4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[1-(4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y020-5785 |
| Compound Name: | ethyl 4-amino-2-{[1-(4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 417.4 |
| Molecular Formula: | C17 H15 N5 O6 S |
| Smiles: | CCOC(c1cnc(nc1N)SC1CC(N(C1=O)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3789 |
| logD: | 1.378 |
| logSw: | -2.4616 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.804 |
| InChI Key: | UQVOHZOBTQFHCK-LBPRGKRZSA-N |