N-(3,5-dimethoxyphenyl)-2-{[7-(2-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-2-{[7-(2-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
N-(3,5-dimethoxyphenyl)-2-{[7-(2-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | G802-0242 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-2-{[7-(2-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide |
| Molecular Weight: | 495.56 |
| Molecular Formula: | C24 H25 N5 O5 S |
| Smiles: | CCC(C(Nc1cc(cc(c1)OC)OC)=O)Sc1nnc2C(N(C=Cn12)c1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7294 |
| logD: | 2.729 |
| logSw: | -3.3464 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.482 |
| InChI Key: | ICMQGCIHJINHSZ-FQEVSTJZSA-N |