propan-2-yl 1-ethyl-6-methyl-4-(4-{[4-(propan-2-yl)phenyl]carbamamido}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 1-ethyl-6-methyl-4-(4-{[4-(propan-2-yl)phenyl]carbamamido}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 1-ethyl-6-methyl-4-(4-{[4-(propan-2-yl)phenyl]carbamamido}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V026-4197 |
| Compound Name: | propan-2-yl 1-ethyl-6-methyl-4-(4-{[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 |
| Salt: | not_available |
| Smiles: | CCN1C(C)=C(C(c2ccc(cc2)NC(Nc2ccc(cc2)C(C)C)=O)NC1=S)C(=O)OC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2515 |
| logD: | 6.2514 |
| logSw: | -5.4608 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.207 |
| InChI Key: | FERKXLIUZKAEQE-XMMPIXPASA-N |