benzyl 6-methyl-4-[4-(propan-2-yl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
benzyl 6-methyl-4-[4-(propan-2-yl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
benzyl 6-methyl-4-[4-(propan-2-yl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 4428-0484 |
| Compound Name: | benzyl 6-methyl-4-[4-(propan-2-yl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C22 H24 N2 O2 S |
| Smiles: | CC(C)c1ccc(cc1)C1C(=C(C)NC(N1)=S)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7181 |
| logD: | 4.7091 |
| logSw: | -4.7553 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.532 |
| InChI Key: | LWDZRZIHJPTMCH-HXUWFJFHSA-N |