N-[(4-fluorophenyl)methyl]-4-({[4-(3-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-4-({[4-(3-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(4-fluorophenyl)methyl]-4-({[4-(3-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V025-8939 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-4-({[4-(3-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 509.6 |
| Molecular Formula: | C29 H24 F N5 O S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)n1c(c2cccnc2)nnc1SCc1ccc(cc1)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6252 |
| logD: | 4.6209 |
| logSw: | -4.1646 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.644 |
| InChI Key: | SPUSAEXKQZENKS-UHFFFAOYSA-N |