benzyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
benzyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
benzyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 1630-0387 |
| Compound Name: | benzyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | CC1=C(C(c2ccc(cc2)N(C)C)NC(N1)=S)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4699 |
| logD: | 3.4467 |
| logSw: | -3.8821 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.337 |
| InChI Key: | FMTFFLQOHOAPML-LJQANCHMSA-N |