N-[(4-fluorophenyl)methyl]-2-({[4-(4-methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-({[4-(4-methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(4-fluorophenyl)methyl]-2-({[4-(4-methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V011-4774 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-({[4-(4-methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 490.6 |
| Molecular Formula: | C27 H27 F N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)c1nnc(n1c1ccc(cc1)OC)SCc1ccccc1C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5874 |
| logD: | 5.587 |
| logSw: | -5.4135 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.941 |
| InChI Key: | ATXDRYHQLJSVQL-UHFFFAOYSA-N |