N-[(4-fluorophenyl)methyl]-3-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-3-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(4-fluorophenyl)methyl]-3-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V030-1408 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-3-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 525.6 |
| Molecular Formula: | C29 H24 F N5 O2 S |
| Salt: | not_available |
| Smiles: | COc1ccccc1n1c(c2cccnc2)nnc1SCc1cccc(c1)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2262 |
| logD: | 4.2218 |
| logSw: | -4.1733 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.973 |
| InChI Key: | ZHTQTIBDCMDXSH-UHFFFAOYSA-N |