2-methylpropyl 4-[3-(4-ethylbenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 4-[3-(4-ethylbenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methylpropyl 4-[3-(4-ethylbenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V009-8262 |
| Compound Name: | 2-methylpropyl 4-[3-(4-ethylbenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C26 H31 N3 O3 S |
| Smiles: | CCc1ccc(cc1)C(Nc1cccc(c1)C1C(=C(C)N(C)C(N1)=S)C(=O)OCC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1842 |
| logD: | 5.1839 |
| logSw: | -5.0398 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.733 |
| InChI Key: | XWSZCGNDGRDLMT-QHCPKHFHSA-N |