9-(3-nitrophenyl)-2-(pentylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(3-nitrophenyl)-2-(pentylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3-nitrophenyl)-2-(pentylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C650-0018 |
| Compound Name: | 9-(3-nitrophenyl)-2-(pentylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 413.5 |
| Molecular Formula: | C20 H23 N5 O3 S |
| Smiles: | CCCCCSc1nc2NC3CCCC(C=3C(c3cccc(c3)[N+]([O-])=O)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1067 |
| logD: | 5.0005 |
| logSw: | -4.9625 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.72 |
| InChI Key: | LGHNMZNBWASIGR-SFHVURJKSA-N |