ethyl 3-acetyl-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 3-acetyl-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 3-acetyl-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 4476-2265 |
| Compound Name: | ethyl 3-acetyl-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 363.39 |
| Molecular Formula: | C16 H17 N3 O5 S |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)N(C(C)=O)C(NC=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2589 |
| logD: | 0.3009 |
| logSw: | -2.8829 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.954 |
| InChI Key: | AGSMRMOFSMBDMQ-AWEZNQCLSA-N |