5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-N'-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)propanoyl]furan-2-carbohydrazide
Chemical Structure Depiction of
5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-N'-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)propanoyl]furan-2-carbohydrazide
5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-N'-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)propanoyl]furan-2-carbohydrazide
Compound characteristics
| Compound ID: | Y508-7518 |
| Compound Name: | 5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-N'-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)propanoyl]furan-2-carbohydrazide |
| Molecular Weight: | 565.42 |
| Molecular Formula: | C20 H17 Br N6 O5 S2 |
| Smiles: | CC(C(NNC(c1ccc(CSc2nc3ccccc3s2)o1)=O)=O)n1c(C)c(c(n1)[N+]([O-])=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7967 |
| logD: | 3.7964 |
| logSw: | -4.0442 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.466 |
| InChI Key: | DZXFKRQYLSKJDL-NSHDSACASA-N |