methyl 4-(4-{[2,6-di(propan-2-yl)phenyl]carbamamido}phenyl)-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(4-{[2,6-di(propan-2-yl)phenyl]carbamamido}phenyl)-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(4-{[2,6-di(propan-2-yl)phenyl]carbamamido}phenyl)-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V025-0068 |
| Compound Name: | methyl 4-(4-{[2,6-di(propan-2-yl)phenyl]carbamamido}phenyl)-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 494.66 |
| Molecular Formula: | C27 H34 N4 O3 S |
| Smiles: | CC(C)c1cccc(C(C)C)c1NC(Nc1ccc(cc1)C1C(=C(C)N(C)C(N1)=S)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1778 |
| logD: | 4.1778 |
| logSw: | -4.2553 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.594 |
| InChI Key: | RLSBJKAVISAECC-HSZRJFAPSA-N |