9-(3-bromo-4-methoxyphenyl)-2-(hexylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(3-bromo-4-methoxyphenyl)-2-(hexylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3-bromo-4-methoxyphenyl)-2-(hexylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2253 |
| Compound Name: | 9-(3-bromo-4-methoxyphenyl)-2-(hexylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 491.45 |
| Molecular Formula: | C22 H27 Br N4 O2 S |
| Smiles: | CCCCCCSc1nc2NC3CCCC(C=3C(c3ccc(c(c3)[Br])OC)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1493 |
| logD: | 6.043 |
| logSw: | -5.3222 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.969 |
| InChI Key: | MALGIQAAEOBHRE-FQEVSTJZSA-N |