methyl 4-{[3-(3,5-dimethylphenyl)-4-oxo-7-(propylcarbamoyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
methyl 4-{[3-(3,5-dimethylphenyl)-4-oxo-7-(propylcarbamoyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-3-oxobutanoate
methyl 4-{[3-(3,5-dimethylphenyl)-4-oxo-7-(propylcarbamoyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | F067-0414 |
| Compound Name: | methyl 4-{[3-(3,5-dimethylphenyl)-4-oxo-7-(propylcarbamoyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C25 H27 N3 O5 S |
| Smiles: | CCCNC(c1ccc2C(N(C(=Nc2c1)SCC(CC(=O)OC)=O)c1cc(C)cc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.999 |
| logD: | 2.9987 |
| logSw: | -3.4892 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.292 |
| InChI Key: | MTHUFQRPRPWIMM-UHFFFAOYSA-N |