benzyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
benzyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
benzyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 1128-0072 |
| Compound Name: | benzyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C22 H24 N2 O3 S |
| Smiles: | CCCOc1ccccc1C1C(=C(C)NC(N1)=S)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6974 |
| logD: | 4.6885 |
| logSw: | -4.7378 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.036 |
| InChI Key: | BVXXNFYLFRFMQZ-HXUWFJFHSA-N |