N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4,5-trimethoxybenzamide
N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | A0062091 |
| Compound Name: | N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 577.63 |
| Molecular Formula: | C29 H28 F N5 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(NCc1nnc(n1c1ccc(cc1)F)SCC(N1CCc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5027 |
| logD: | 3.5027 |
| logSw: | -3.8789 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.774 |
| InChI Key: | NFEDJWLXWWDJNV-UHFFFAOYSA-N |