3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-5184 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 419.97 |
| Molecular Formula: | C20 H19 Cl F N3 S2 |
| Smiles: | C=CCn1c(c2csc3CCCCc23)nnc1SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 6.1803 |
| logD: | 6.1803 |
| logSw: | -6.5114 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.1581 |
| InChI Key: | XNGURWIUWOYISO-UHFFFAOYSA-N |