methyl {1-[(3-chloro-2-methylphenyl)carbamothioyl]-2-[(4-methylquinazolin-2-yl)amino]-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene}acetate
Chemical Structure Depiction of
methyl {1-[(3-chloro-2-methylphenyl)carbamothioyl]-2-[(4-methylquinazolin-2-yl)amino]-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene}acetate
methyl {1-[(3-chloro-2-methylphenyl)carbamothioyl]-2-[(4-methylquinazolin-2-yl)amino]-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene}acetate
Compound characteristics
| Compound ID: | Y020-7009 |
| Compound Name: | methyl {1-[(3-chloro-2-methylphenyl)carbamothioyl]-2-[(4-methylquinazolin-2-yl)amino]-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene}acetate |
| Molecular Weight: | 494.96 |
| Molecular Formula: | C23 H19 Cl N6 O3 S |
| Smiles: | Cc1c(cccc1[Cl])NC(N1C(Nc2nc(C)c3ccccc3n2)=NC(=C/C(=O)OC)\C1=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.5457 |
| logD: | 4.5263 |
| logSw: | -4.4847 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.445 |
| InChI Key: | BNDUKFZSOSSWRH-UHFFFAOYSA-N |