ethyl 6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-7977 |
| Compound Name: | ethyl 6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 435.48 |
| Molecular Formula: | C17 H17 N5 O5 S2 |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)NC(NC=1CSc1nnc(C)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2224 |
| logD: | 2.0138 |
| logSw: | -2.8411 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.834 |
| InChI Key: | SDBOPUFIDBTSRB-CQSZACIVSA-N |