1,5-dimethyl-4-[({4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
1,5-dimethyl-4-[({4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
1,5-dimethyl-4-[({4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8008-9647 |
| Compound Name: | 1,5-dimethyl-4-[({4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C22 H20 N6 O3 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)/N=C/c1ccc(c(c1)[N+]([O-])=O)Sc1nccn1C |
| Stereo: | ACHIRAL |
| logP: | 2.9997 |
| logD: | 2.9965 |
| logSw: | -3.5426 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.475 |
| InChI Key: | FOANBTZSWPPOJF-UHFFFAOYSA-N |