ethyl 4-{[3-(5-chloro-2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate
Chemical Structure Depiction of
ethyl 4-{[3-(5-chloro-2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate
ethyl 4-{[3-(5-chloro-2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | V010-6957 |
| Compound Name: | ethyl 4-{[3-(5-chloro-2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate |
| Molecular Weight: | 416.93 |
| Molecular Formula: | C21 H21 Cl N2 O3 S |
| Smiles: | CCOC(CCCSC1=Nc2ccccc2C(N1c1cc(ccc1C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.48 |
| logD: | 4.48 |
| logSw: | -4.6021 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.289 |
| InChI Key: | HGSSBIKQWZFSLV-UHFFFAOYSA-N |