2-{[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]propanamide
Chemical Structure Depiction of
2-{[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]propanamide
2-{[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | G802-0674 |
| Compound Name: | 2-{[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]propanamide |
| Molecular Weight: | 439.56 |
| Molecular Formula: | C21 H21 N5 O2 S2 |
| Smiles: | CC(C(NCc1cccs1)=O)Sc1nnc2C(N(C=Cn12)c1ccc(C)c(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8079 |
| logD: | 2.8079 |
| logSw: | -3.1683 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.405 |
| InChI Key: | TXOKHUJZGAYHQC-HNNXBMFYSA-N |