2-(ethylsulfanyl)-9-(3-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(ethylsulfanyl)-9-(3-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(ethylsulfanyl)-9-(3-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C650-0015 |
| Compound Name: | 2-(ethylsulfanyl)-9-(3-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 371.42 |
| Molecular Formula: | C17 H17 N5 O3 S |
| Smiles: | CCSc1nc2NC3CCCC(C=3C(c3cccc(c3)[N+]([O-])=O)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4087 |
| logD: | 3.3024 |
| logSw: | -3.9388 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.72 |
| InChI Key: | MJLMDQNKLHCSKQ-HNNXBMFYSA-N |