1-[2-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl]ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-[2-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl]ethan-1-one--hydrogen chloride (1/1)
1-[2-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl]ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | SB59-0320 |
| Compound Name: | 1-[2-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl]ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 457.96 |
| Molecular Formula: | C22 H27 N7 O2 |
| Salt: | HCl |
| Smiles: | CC(N1CC(c2nncn2C)C2(CN(Cc3c[nH]nc3c3cccc(c3)OC)C2)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6856 |
| logD: | -4.8569 |
| logSw: | -2.0032 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.164 |
| InChI Key: | QHKOOVBGBPLFDI-LJQANCHMSA-N |