N-[(furan-2-yl)methyl]-2-({[4-(2-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-({[4-(2-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(furan-2-yl)methyl]-2-({[4-(2-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V026-7514 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-({[4-(2-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 497.58 |
| Molecular Formula: | C27 H23 N5 O3 S |
| Salt: | not_available |
| Smiles: | COc1ccccc1n1c(c2ccncc2)nnc1SCc1ccccc1C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.694 |
| logD: | 4.6938 |
| logSw: | -4.3305 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.632 |
| InChI Key: | LMDUDKZNKJOMMF-UHFFFAOYSA-N |