N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(4-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(4-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(4-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V025-8485 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(4-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 551.62 |
| Molecular Formula: | C30 H25 N5 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)n1c(c2cccnc2)nnc1SCc1ccccc1C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8305 |
| logD: | 4.8263 |
| logSw: | -4.4014 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.303 |
| InChI Key: | SJGBGPMHIBIWIJ-UHFFFAOYSA-N |