methyl 4-(1,3-dimethyl-1H-pyrazol-4-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(1,3-dimethyl-1H-pyrazol-4-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(1,3-dimethyl-1H-pyrazol-4-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y500-3714 |
| Compound Name: | methyl 4-(1,3-dimethyl-1H-pyrazol-4-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 280.35 |
| Molecular Formula: | C12 H16 N4 O2 S |
| Smiles: | CC1=C(C(c2cn(C)nc2C)NC(N1)=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3133 |
| logD: | 0.2998 |
| logSw: | -2.2334 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.01 |
| InChI Key: | KEPQJYKDTBDUKU-SNVBAGLBSA-N |