N-(4-{5-[(2-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}-1,2,5-oxadiazol-3-yl)acetamide
Chemical Structure Depiction of
N-(4-{5-[(2-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}-1,2,5-oxadiazol-3-yl)acetamide
N-(4-{5-[(2-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}-1,2,5-oxadiazol-3-yl)acetamide
Compound characteristics
| Compound ID: | D291-0234 |
| Compound Name: | N-(4-{5-[(2-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}-1,2,5-oxadiazol-3-yl)acetamide |
| Molecular Weight: | 474.52 |
| Molecular Formula: | C20 H23 F N8 O3 S |
| Smiles: | CC(Nc1c(c2nnc(n2C)SCC(N2CCN(CC2)Cc2ccc(cc2)F)=O)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0308 |
| logD: | 1.0221 |
| logSw: | -2.2956 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.274 |
| InChI Key: | QSKIEOZQWHTIIM-UHFFFAOYSA-N |