2-(butylsulfanyl)-9-(3-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(butylsulfanyl)-9-(3-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(butylsulfanyl)-9-(3-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C650-0017 |
| Compound Name: | 2-(butylsulfanyl)-9-(3-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C19 H21 N5 O3 S |
| Smiles: | CCCCSc1nc2NC3CCCC(C=3C(c3cccc(c3)[N+]([O-])=O)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4261 |
| logD: | 4.3199 |
| logSw: | -4.3678 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.72 |
| InChI Key: | RCFZYPWCGUWERQ-KRWDZBQOSA-N |