4-[3-(azepan-1-yl)-3-oxopropyl]-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-5-olate
Chemical Structure Depiction of
4-[3-(azepan-1-yl)-3-oxopropyl]-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-5-olate
4-[3-(azepan-1-yl)-3-oxopropyl]-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | D475-2431 |
| Compound Name: | 4-[3-(azepan-1-yl)-3-oxopropyl]-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-5-olate |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C22 H25 N4 O2 S |
| Salt: | Na+ |
| Smiles: | Cc1c(CCC(N2CCCCCC2)=O)c(n(c2nc(cs2)c2ccccc2)n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 4.072 |
| logD: | 4.068 |
| logSw: | -4.011 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.09 |
| InChI Key: | SBPQYXJSDFESPQ-UHFFFAOYSA-N |