2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoyl}-N-[3-(morpholin-4-yl)propyl]hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoyl}-N-[3-(morpholin-4-yl)propyl]hydrazine-1-carbothioamide
2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoyl}-N-[3-(morpholin-4-yl)propyl]hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y502-5871 |
| Compound Name: | 2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoyl}-N-[3-(morpholin-4-yl)propyl]hydrazine-1-carbothioamide |
| Molecular Weight: | 509.47 |
| Molecular Formula: | C21 H29 Br N6 O2 S |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)C(NNC(NCCCN2CCOCC2)=S)=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.2955 |
| logD: | 1.2955 |
| logSw: | -2.286 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.503 |
| InChI Key: | PHANBGVCAJCMPG-UHFFFAOYSA-N |