9-(3-bromophenyl)-2-(butylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(3-bromophenyl)-2-(butylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3-bromophenyl)-2-(butylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C650-0078 |
| Compound Name: | 9-(3-bromophenyl)-2-(butylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 433.37 |
| Molecular Formula: | C19 H21 Br N4 O S |
| Smiles: | CCCCSc1nc2NC3CCCC(C=3C(c3cccc(c3)[Br])n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4 |
| logD: | 5.2938 |
| logSw: | -5.278 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.338 |
| InChI Key: | ZKCJADNNKDGEPS-KRWDZBQOSA-N |