2-[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one
2-[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8017-4232 |
| Compound Name: | 2-[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C25 H22 N4 O S |
| Smiles: | C1CN(C(CSc2nnc(c3ccccc3)n2Cc2ccccc2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.9875 |
| logD: | 4.9875 |
| logSw: | -4.7978 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.392 |
| InChI Key: | WLCSNKZRAFVKRG-UHFFFAOYSA-N |