1,5-dimethyl-4-[({3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methylidene)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
1,5-dimethyl-4-[({3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methylidene)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
1,5-dimethyl-4-[({3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methylidene)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8006-4806 |
| Compound Name: | 1,5-dimethyl-4-[({3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methylidene)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 546.58 |
| Molecular Formula: | C25 H18 N6 O5 S2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)/N=C/c1ccc(c(c1)[N+]([O-])=O)Sc1nc2ccc(cc2s1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3829 |
| logD: | 5.3829 |
| logSw: | -5.4243 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 104.019 |
| InChI Key: | HBOWWFLQADPJPJ-UHFFFAOYSA-N |