[4-(2-fluorophenyl)piperazin-1-yl][2-({[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
[4-(2-fluorophenyl)piperazin-1-yl][2-({[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
[4-(2-fluorophenyl)piperazin-1-yl][2-({[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V005-0700 |
| Compound Name: | [4-(2-fluorophenyl)piperazin-1-yl][2-({[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 543.66 |
| Molecular Formula: | C30 H30 F N5 O2 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)c1nnc(n1CC=C)SCc1ccccc1C(N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7873 |
| logD: | 5.7873 |
| logSw: | -5.6022 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.371 |
| InChI Key: | NHOHHKWTYLKUFI-UHFFFAOYSA-N |