N-[(4-fluorophenyl)methyl]-4-({[4-(2-methoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-4-({[4-(2-methoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(4-fluorophenyl)methyl]-4-({[4-(2-methoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V015-9418 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-4-({[4-(2-methoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 554.64 |
| Molecular Formula: | C31 H27 F N4 O3 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)c1nnc(n1c1ccccc1OC)SCc1ccc(cc1)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4753 |
| logD: | 5.4752 |
| logSw: | -5.438 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.999 |
| InChI Key: | CRSHTAMSNSDURB-UHFFFAOYSA-N |