(azepan-1-yl)[2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]methanone--hydrogen chloride (1/1)
Chemical Structure Depiction of
(azepan-1-yl)[2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]methanone--hydrogen chloride (1/1)
(azepan-1-yl)[2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]methanone--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D314-0157 |
| Compound Name: | (azepan-1-yl)[2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]methanone--hydrogen chloride (1/1) |
| Molecular Weight: | 411.01 |
| Molecular Formula: | C20 H30 N4 O S |
| Salt: | HCl |
| Smiles: | CCCCc1c(C)nn(c1C)c1nc(C)c(C(N2CCCCCC2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8548 |
| logD: | 4.8244 |
| logSw: | -4.5919 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.033 |
| InChI Key: | VKAGCNOWBSLFBQ-UHFFFAOYSA-N |