2-methylpropyl 1,6-dimethyl-4-(3-{[4-(propan-2-yl)phenyl]carbamamido}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 1,6-dimethyl-4-(3-{[4-(propan-2-yl)phenyl]carbamamido}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methylpropyl 1,6-dimethyl-4-(3-{[4-(propan-2-yl)phenyl]carbamamido}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V004-9422 |
| Compound Name: | 2-methylpropyl 1,6-dimethyl-4-(3-{[4-(propan-2-yl)phenyl]carbamamido}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 494.66 |
| Molecular Formula: | C27 H34 N4 O3 S |
| Smiles: | CC(C)COC(C1C(c2cccc(c2)NC(Nc2ccc(cc2)C(C)C)=O)NC(N(C)C=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2423 |
| logD: | 6.242 |
| logSw: | -5.552 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.945 |
| InChI Key: | DCHRQONMVHVQCD-XMMPIXPASA-N |