N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(4-methoxyphenyl)-5-(propan-2-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-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(4-methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
Compound ID: | V029-5086 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(4-methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
Molecular Weight: | 516.62 |
Molecular Formula: | C28 H28 N4 O4 S |
Salt: | not_available |
Smiles: | CC(C)c1nnc(n1c1ccc(cc1)OC)SCc1ccccc1C(NCc1ccc2c(c1)OCO2)=O |
Stereo: | ACHIRAL |
logP: | 5.4714 |
logD: | 5.4714 |
logSw: | -5.4165 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.057 |
InChI Key: | ZICSAENVFZJMCO-UHFFFAOYSA-N |