hexyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
hexyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
hexyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 1630-0273 |
| Compound Name: | hexyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 390.54 |
| Molecular Formula: | C21 H30 N2 O3 S |
| Smiles: | CCCCCCOC(C1C(c2ccccc2OCCC)NC(NC=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6544 |
| logD: | 5.6384 |
| logSw: | -5.2728 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.226 |
| InChI Key: | JBNURVXEEZRALU-LJQANCHMSA-N |