3-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione
Chemical Structure Depiction of
3-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione
3-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione
Compound characteristics
| Compound ID: | Y500-3406 |
| Compound Name: | 3-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione |
| Molecular Weight: | 497.58 |
| Molecular Formula: | C23 H27 N7 O4 S |
| Smiles: | CCn1c(CCn2c(C)c(c(C)n2)[N+]([O-])=O)nnc1SC1CC(N(C1=O)c1cc(C)cc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2754 |
| logD: | 2.2752 |
| logSw: | -2.275 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 101.444 |
| InChI Key: | MWRMOOQFBONWLI-SFHVURJKSA-N |