1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-one
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8013-5751 |
| Compound Name: | 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 462.55 |
| Molecular Formula: | C24 H23 F N6 O S |
| Smiles: | C=CCn1c2ccccc2c2c1nc(nn2)SCC(N1CCN(CC1)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9723 |
| logD: | 3.9723 |
| logSw: | -4.1792 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.61 |
| InChI Key: | VBHIXQFRSBPODE-UHFFFAOYSA-N |