ethyl 4-{[3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate
Chemical Structure Depiction of
ethyl 4-{[3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate
ethyl 4-{[3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | V002-7449 |
| Compound Name: | ethyl 4-{[3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C20 H19 N3 O5 S |
| Smiles: | CCOC(CCCSC1=Nc2ccccc2C(N1c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2457 |
| logD: | 3.2457 |
| logSw: | -3.861 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.971 |
| InChI Key: | LSFVENOKBULPEU-UHFFFAOYSA-N |