2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide
Chemical Structure Depiction of
2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide
2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide
Compound characteristics
| Compound ID: | Y503-1101 |
| Compound Name: | 2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide |
| Molecular Weight: | 379.44 |
| Molecular Formula: | C15 H21 N7 O3 S |
| Smiles: | Cc1c(c(C)n(CCc2nnc(n2C)SCC(NCC=C)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.1421 |
| logD: | -0.1423 |
| logSw: | -1.7482 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.923 |
| InChI Key: | BSXMBEXHYRIYID-UHFFFAOYSA-N |