benzyl 6-methyl-4-(3-methylthiophen-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
benzyl 6-methyl-4-(3-methylthiophen-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
benzyl 6-methyl-4-(3-methylthiophen-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 4476-0566 |
| Compound Name: | benzyl 6-methyl-4-(3-methylthiophen-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C18 H18 N2 O2 S2 |
| Smiles: | CC1=C(C(c2c(C)ccs2)NC(N1)=S)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6721 |
| logD: | 3.6594 |
| logSw: | -3.8973 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.55 |
| InChI Key: | IYDCJSAEXXLQLD-HNNXBMFYSA-N |