N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-2-phenoxyacetamide
Chemical Structure Depiction of
N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-2-phenoxyacetamide
N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-2-phenoxyacetamide
Compound characteristics
| Compound ID: | C592-3431 |
| Compound Name: | N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-2-phenoxyacetamide |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C27 H25 N5 O3 S |
| Smiles: | C1CN(C(CSc2nnc(CNC(COc3ccccc3)=O)n2c2ccccc2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.4346 |
| logD: | 3.4346 |
| logSw: | -3.6333 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.082 |
| InChI Key: | QQLFSLIFFKHDQC-UHFFFAOYSA-N |