4-benzyl-2-(ethylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
4-benzyl-2-(ethylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
4-benzyl-2-(ethylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-8217 |
| Compound Name: | 4-benzyl-2-(ethylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Smiles: | CCSc1nc2N(Cc3ccccc3)C3CCCC(C=3C(c3ccc(cc3)OC)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3108 |
| logD: | 5.3108 |
| logSw: | -5.1527 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.895 |
| InChI Key: | MFAQQGXZODPUMT-QHCPKHFHSA-N |