ethyl 2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}hexanoate
Chemical Structure Depiction of
ethyl 2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}hexanoate
ethyl 2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}hexanoate
Compound characteristics
| Compound ID: | K280-0292 |
| Compound Name: | ethyl 2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}hexanoate |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C23 H23 N5 O4 S |
| Smiles: | CCCCC(C(=O)OCC)Sc1nc2ccccc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.318 |
| logD: | 6.3101 |
| logSw: | -5.7515 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.204 |
| InChI Key: | MSBLHGSEBLFMDG-IBGZPJMESA-N |