2-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane
Chemical Structure Depiction of
2-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane
2-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane
Compound characteristics
| Compound ID: | SC66-0112 |
| Compound Name: | 2-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C22 H28 N6 O2 |
| Smiles: | Cn1cnnc1C1CN(Cc2c[nH]nc2c2ccc(cc2)OC)CC12CCOCC2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4213 |
| logD: | -2.0514 |
| logSw: | -2.0176 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.679 |
| InChI Key: | VAPZEGKSTOPHCV-LJQANCHMSA-N |