N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-[(2-methyl-1H-indol-3-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-[(2-methyl-1H-indol-3-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-[(2-methyl-1H-indol-3-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | D387-0380 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-[(2-methyl-1H-indol-3-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C25 H25 N5 O3 S |
| Smiles: | Cc1c(Cc2nnc(n2CC=C)SCC(NCc2ccc3c(c2)OCO3)=O)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.6987 |
| logD: | 3.6987 |
| logSw: | -4.2628 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.708 |
| InChI Key: | PFHCZFJTIFHQLA-UHFFFAOYSA-N |