2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-N-[3-(morpholin-4-yl)propyl]hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-N-[3-(morpholin-4-yl)propyl]hydrazine-1-carbothioamide
2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-N-[3-(morpholin-4-yl)propyl]hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y502-7216 |
| Compound Name: | 2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-N-[3-(morpholin-4-yl)propyl]hydrazine-1-carbothioamide |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C19 H27 N7 O5 S |
| Smiles: | Cc1c(c(C)n(Cc2ccc(C(NNC(NCCCN3CCOCC3)=S)=O)o2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.1798 |
| logD: | 0.1798 |
| logSw: | -2.2171 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 115.124 |
| InChI Key: | VXMZPFSGDMKWGA-UHFFFAOYSA-N |