2-methylpropyl 1-ethyl-4-{4-[(4-ethylphenyl)carbamamido]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 1-ethyl-4-{4-[(4-ethylphenyl)carbamamido]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methylpropyl 1-ethyl-4-{4-[(4-ethylphenyl)carbamamido]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V004-9471 |
| Compound Name: | 2-methylpropyl 1-ethyl-4-{4-[(4-ethylphenyl)carbamamido]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 494.66 |
| Molecular Formula: | C27 H34 N4 O3 S |
| Smiles: | CCc1ccc(cc1)NC(Nc1ccc(cc1)C1C(=C(C)N(CC)C(N1)=S)C(=O)OCC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.152 |
| logD: | 6.152 |
| logSw: | -5.5263 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.904 |
| InChI Key: | SROJXZYZXPWWRG-XMMPIXPASA-N |