1,5-dimethyl-4-[({5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl}methylidene)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
1,5-dimethyl-4-[({5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl}methylidene)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
1,5-dimethyl-4-[({5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl}methylidene)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8001-6173 |
| Compound Name: | 1,5-dimethyl-4-[({5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl}methylidene)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 491.55 |
| Molecular Formula: | C23 H17 N5 O4 S2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)/N=C/c1ccc(o1)Sc1nc2ccc(cc2s1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8677 |
| logD: | 4.8677 |
| logSw: | -4.7849 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79 |
| InChI Key: | KDIKIKIKUCECJN-UHFFFAOYSA-N |