benzyl 6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
benzyl 6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
benzyl 6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y070-1698 |
| Compound Name: | benzyl 6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C25 H22 N2 O3 S |
| Smiles: | CC1=C(C(c2cccc(c2)Oc2ccccc2)NC(N1)=S)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1214 |
| logD: | 5.1124 |
| logSw: | -5.2602 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.28 |
| InChI Key: | LXYZFYZHIWAOGX-HSZRJFAPSA-N |