N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(2-fluorophenyl)-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-(2-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(2-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V030-6972 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(2-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 539.59 |
| Molecular Formula: | C29 H22 F N5 O3 S |
| Salt: | not_available |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccccc1CSc1nnc(c2cccnc2)n1c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8016 |
| logD: | 4.7974 |
| logSw: | -4.6725 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.458 |
| InChI Key: | UZEMCPSNAMGSKY-UHFFFAOYSA-N |