9-(3-methylthiophen-2-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(3-methylthiophen-2-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3-methylthiophen-2-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-7326 |
| Compound Name: | 9-(3-methylthiophen-2-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C21 H19 N5 O3 S2 |
| Smiles: | Cc1ccsc1C1C2=C(CCCC2=O)Nc2nc(nn12)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4616 |
| logD: | 4.3761 |
| logSw: | -4.3794 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.466 |
| InChI Key: | ADRNINSUXPGYTK-GOSISDBHSA-N |