2-(butylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(butylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(butylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
Compound ID: | C650-0107 |
Compound Name: | 2-(butylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
Molecular Weight: | 384.5 |
Molecular Formula: | C20 H24 N4 O2 S |
Smiles: | CCCCSc1nc2NC3CCCC(C=3C(c3ccc(cc3)OC)n2n1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.5361 |
logD: | 4.4299 |
logSw: | -4.331 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.882 |
InChI Key: | PNXNPRPIRAZQLK-SFHVURJKSA-N |