ethyl 2-{[6,7,8-trimethoxy-3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[6,7,8-trimethoxy-3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanoate
ethyl 2-{[6,7,8-trimethoxy-3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V008-1131 |
| Compound Name: | ethyl 2-{[6,7,8-trimethoxy-3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanoate |
| Molecular Weight: | 489.5 |
| Molecular Formula: | C22 H23 N3 O8 S |
| Smiles: | CCOC(C(C)SC1=Nc2c(cc(c(c2OC)OC)OC)C(N1c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8184 |
| logD: | 3.8183 |
| logSw: | -4.0603 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 100.379 |
| InChI Key: | YDDXYAZFTYMKAV-LBPRGKRZSA-N |