1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8016-2785 |
| Compound Name: | 1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 413.5 |
| Molecular Formula: | C23 H19 N5 O S |
| Smiles: | C1CN(C(CSc2nnc(c3cccnc3)n2c2ccccc2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.2845 |
| logD: | 3.2803 |
| logSw: | -3.2266 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.653 |
| InChI Key: | ZLMRBGKMVRBUNM-UHFFFAOYSA-N |