ethyl 4-{[6,7,8-trimethoxy-3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate
Chemical Structure Depiction of
ethyl 4-{[6,7,8-trimethoxy-3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate
ethyl 4-{[6,7,8-trimethoxy-3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | V009-3397 |
| Compound Name: | ethyl 4-{[6,7,8-trimethoxy-3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate |
| Molecular Weight: | 503.53 |
| Molecular Formula: | C23 H25 N3 O8 S |
| Smiles: | CCOC(CCCSC1=Nc2c(cc(c(c2OC)OC)OC)C(N1c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7263 |
| logD: | 3.7263 |
| logSw: | -4.0434 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 99.784 |
| InChI Key: | JVLQIBYTAMRUMQ-UHFFFAOYSA-N |