1-{2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl}ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-{2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl}ethan-1-one--hydrogen chloride (1/1)
1-{2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl}ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8007-6704 |
| Compound Name: | 1-{2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl}ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 470.98 |
| Molecular Formula: | C23 H22 N4 O3 S |
| Salt: | HCl |
| Smiles: | CC(c1c(C)nc(N2C(CC(c3cc(C)ccc3C)=N2)c2cccc(c2)[N+]([O-])=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9282 |
| logD: | 5.9282 |
| logSw: | -5.4914 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.524 |
| InChI Key: | RQTUTQMKCOTAHG-NRFANRHFSA-N |