4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethyl-N-[(thiophen-2-yl)methyl]butanamide
Chemical Structure Depiction of
4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethyl-N-[(thiophen-2-yl)methyl]butanamide
4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethyl-N-[(thiophen-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | G423-0672 |
| Compound Name: | 4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethyl-N-[(thiophen-2-yl)methyl]butanamide |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C22 H22 F N5 O2 S |
| Smiles: | CC(C)(CC(NCc1cccs1)=O)Cc1nnc2C(N(C=Cn12)c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8108 |
| logD: | 1.8108 |
| logSw: | -2.4692 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.586 |
| InChI Key: | JPCLSNIHKRBWBC-UHFFFAOYSA-N |