methyl 1,6-dimethyl-4-(4-{[4-(propan-2-yl)phenyl]carbamamido}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 1,6-dimethyl-4-(4-{[4-(propan-2-yl)phenyl]carbamamido}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 1,6-dimethyl-4-(4-{[4-(propan-2-yl)phenyl]carbamamido}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V017-0243 |
| Compound Name: | methyl 1,6-dimethyl-4-(4-{[4-(propan-2-yl)phenyl]carbamamido}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C24 H28 N4 O3 S |
| Smiles: | CC(C)c1ccc(cc1)NC(Nc1ccc(cc1)C1C(=C(C)N(C)C(N1)=S)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8277 |
| logD: | 4.8277 |
| logSw: | -4.5111 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.99 |
| InChI Key: | ZUIBBAAZKPCVMR-OAQYLSRUSA-N |