ethyl 4-{[3-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate
Chemical Structure Depiction of
ethyl 4-{[3-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate
ethyl 4-{[3-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | V011-0604 |
| Compound Name: | ethyl 4-{[3-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C22 H24 N2 O3 S |
| Smiles: | CCOC(CCCSC1=Nc2ccccc2C(N1c1cc(C)cc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3553 |
| logD: | 4.3551 |
| logSw: | -4.2967 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.59 |
| InChI Key: | KHSIGBDFYXDBFL-UHFFFAOYSA-N |