4-(5-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)aniline
Chemical Structure Depiction of
4-(5-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)aniline
4-(5-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)aniline
Compound characteristics
Compound ID: | 8011-7202 |
Compound Name: | 4-(5-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)aniline |
Molecular Weight: | 371.42 |
Molecular Formula: | C17 H17 N5 O3 S |
Smiles: | Cn1c(c2ccc(cc2)N)nnc1SCc1cc(ccc1OC)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 2.6514 |
logD: | 2.6513 |
logSw: | -3.0455 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 86.869 |
InChI Key: | NTCJDVDCKQUTBB-UHFFFAOYSA-N |