1-(2-methyl-1H-indol-3-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2-methyl-1H-indol-3-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2-methyl-1H-indol-3-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8451-17203 |
| Compound Name: | 1-(2-methyl-1H-indol-3-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 388.49 |
| Molecular Formula: | C22 H20 N4 O S |
| Smiles: | Cc1c(C(CSc2nnc(c3ccccc3)n2CC=C)=O)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.5945 |
| logD: | 4.5945 |
| logSw: | -4.5238 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.392 |
| InChI Key: | YFVQOFQSEXNUPS-UHFFFAOYSA-N |