N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(3-methylphenyl)-5-(thiophen-2-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-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V027-8717 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 540.66 |
| Molecular Formula: | C29 H24 N4 O3 S2 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)n1c(c2cccs2)nnc1SCc1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7102 |
| logD: | 5.7099 |
| logSw: | -5.4259 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.26 |
| InChI Key: | KMOJZBWNVREXDV-UHFFFAOYSA-N |