9-(2-methoxyphenyl)-6,6-dimethyl-2-(pentylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(2-methoxyphenyl)-6,6-dimethyl-2-(pentylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(2-methoxyphenyl)-6,6-dimethyl-2-(pentylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2872 |
| Compound Name: | 9-(2-methoxyphenyl)-6,6-dimethyl-2-(pentylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 426.58 |
| Molecular Formula: | C23 H30 N4 O2 S |
| Smiles: | CCCCCSc1nc2NC3CC(C)(C)CC(C=3C(c3ccccc3OC)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9713 |
| logD: | 5.7454 |
| logSw: | -5.3385 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.969 |
| InChI Key: | GOYXPUDPZNLWIK-FQEVSTJZSA-N |