2-({4-benzyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-tert-butylacetamide
Chemical Structure Depiction of
2-({4-benzyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-tert-butylacetamide
2-({4-benzyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-tert-butylacetamide
Compound characteristics
| Compound ID: | D387-0267 |
| Compound Name: | 2-({4-benzyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-tert-butylacetamide |
| Molecular Weight: | 447.6 |
| Molecular Formula: | C25 H29 N5 O S |
| Smiles: | Cc1c(Cc2nnc(n2Cc2ccccc2)SCC(NC(C)(C)C)=O)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.467 |
| logD: | 4.467 |
| logSw: | -4.3876 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.438 |
| InChI Key: | AVYJCYCDQMCJSX-UHFFFAOYSA-N |