2-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]-N-[3-(morpholin-4-yl)propyl]hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]-N-[3-(morpholin-4-yl)propyl]hydrazine-1-carbothioamide
2-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]-N-[3-(morpholin-4-yl)propyl]hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y502-6674 |
| Compound Name: | 2-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]-N-[3-(morpholin-4-yl)propyl]hydrazine-1-carbothioamide |
| Molecular Weight: | 413.5 |
| Molecular Formula: | C16 H27 N7 O4 S |
| Smiles: | Cc1c(c(C)n(CCC(NNC(NCCCN2CCOCC2)=S)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.8742 |
| logD: | -1.181 |
| logSw: | -0.997 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.319 |
| InChI Key: | IEMUHZYIANHDAF-UHFFFAOYSA-N |