N-(3-chloro-4-methylphenyl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
N-(3-chloro-4-methylphenyl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | G802-1138 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide |
| Molecular Weight: | 498 |
| Molecular Formula: | C24 H24 Cl N5 O3 S |
| Smiles: | CCC(C(Nc1ccc(C)c(c1)[Cl])=O)Sc1nnc2C(N(C=Cn12)c1ccc(cc1)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4442 |
| logD: | 4.4438 |
| logSw: | -4.4856 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.189 |
| InChI Key: | NBTKOZJPCPQGPB-FQEVSTJZSA-N |