methyl 4-(4-chlorophenyl)-6-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(4-chlorophenyl)-6-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(4-chlorophenyl)-6-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8020-4445 |
| Compound Name: | methyl 4-(4-chlorophenyl)-6-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 394.84 |
| Molecular Formula: | C15 H15 Cl N6 O3 S |
| Smiles: | Cn1c(nnn1)SCC1=C(C(c2ccc(cc2)[Cl])NC(N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4828 |
| logD: | 1.2638 |
| logSw: | -2.9664 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.544 |
| InChI Key: | BWVDBWQKBOAHHD-LBPRGKRZSA-N |