N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(4-methylphenyl)-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]-4-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V025-5465 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 535.62 |
| Molecular Formula: | C30 H25 N5 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2cccnc2)nnc1SCc1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4649 |
| logD: | 4.4607 |
| logSw: | -4.0758 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.759 |
| InChI Key: | PZYMCSQNHMBEPC-UHFFFAOYSA-N |