ethyl 1-ethyl-6-methyl-4-{4-[(4-methylbenzene-1-sulfonyl)amino]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-6-methyl-4-{4-[(4-methylbenzene-1-sulfonyl)amino]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-ethyl-6-methyl-4-{4-[(4-methylbenzene-1-sulfonyl)amino]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V012-4878 |
| Compound Name: | ethyl 1-ethyl-6-methyl-4-{4-[(4-methylbenzene-1-sulfonyl)amino]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 473.61 |
| Molecular Formula: | C23 H27 N3 O4 S2 |
| Smiles: | CCN1C(C)=C(C(c2ccc(cc2)NS(c2ccc(C)cc2)(=O)=O)NC1=S)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1859 |
| logD: | 4.1737 |
| logSw: | -4.0364 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.875 |
| InChI Key: | LVDXKTTVTUYEFU-NRFANRHFSA-N |