N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | C592-1977 |
| Compound Name: | N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C23 H25 N5 O3 S |
| Smiles: | CCn1c(CNC(c2ccc(cc2)OC)=O)nnc1SCC(N1CCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7171 |
| logD: | 2.7171 |
| logSw: | -3.086 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.593 |
| InChI Key: | XPMUOJKWCLQYRK-UHFFFAOYSA-N |