N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[4-(2-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]-3-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
Compound ID: | V030-1396 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[4-(2-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: | COc1ccccc1n1c(c2cccnc2)nnc1SCc1cccc(c1)C(NCc1ccc2c(c1)OCO2)=O |
Stereo: | ACHIRAL |
logP: | 4.1103 |
logD: | 4.1061 |
logSw: | -4.1671 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 83.089 |
InChI Key: | YVYUKRUVJUUJFC-UHFFFAOYSA-N |