1-(2-methyl-1H-indol-3-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2-methyl-1H-indol-3-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2-methyl-1H-indol-3-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8451-17204 |
| Compound Name: | 1-(2-methyl-1H-indol-3-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 389.48 |
| Molecular Formula: | C21 H19 N5 O S |
| Smiles: | Cc1c(C(CSc2nnc(c3cccnc3)n2CC=C)=O)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.219 |
| logD: | 3.2065 |
| logSw: | -3.3214 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.91 |
| InChI Key: | HFRWKYDRZDIRHQ-UHFFFAOYSA-N |