ethyl 6-[(benzylsulfanyl)methyl]-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(benzylsulfanyl)methyl]-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(benzylsulfanyl)methyl]-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-7972 |
| Compound Name: | ethyl 6-[(benzylsulfanyl)methyl]-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C21 H21 N3 O5 S |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)NC(NC=1CSCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7018 |
| logD: | 2.8704 |
| logSw: | -3.9336 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.162 |
| InChI Key: | JFQBCFZHRXSLOQ-LJQANCHMSA-N |