3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indole
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | 8016-0656 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 384.86 |
| Molecular Formula: | C19 H14 Cl F N4 S |
| Smiles: | C=CCn1c2ccccc2c2c1nc(nn2)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.2747 |
| logD: | 5.2747 |
| logSw: | -6.0189 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.957 |
| InChI Key: | AKYVLMAWFYASPK-UHFFFAOYSA-N |