ethyl 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-7974 |
| Compound Name: | ethyl 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 470.52 |
| Molecular Formula: | C21 H18 N4 O5 S2 |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)NC(NC=1CSc1nc2ccccc2s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3448 |
| logD: | 4.1463 |
| logSw: | -4.3283 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.244 |
| InChI Key: | PCKPBDOSSWCUBA-GOSISDBHSA-N |