1-{2-[(4-ethoxy-3-methoxyphenyl)methyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{2-[(4-ethoxy-3-methoxyphenyl)methyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl}-2-methylpropan-1-one
1-{2-[(4-ethoxy-3-methoxyphenyl)methyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | SB59-0429 |
| Compound Name: | 1-{2-[(4-ethoxy-3-methoxyphenyl)methyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl}-2-methylpropan-1-one |
| Molecular Weight: | 427.55 |
| Molecular Formula: | C23 H33 N5 O3 |
| Smiles: | CCOc1ccc(CN2CC3(C2)CN(CC3c2nncn2C)C(C(C)C)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2438 |
| logD: | -3.9771 |
| logSw: | -2.2091 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.803 |
| InChI Key: | ZRSGYMXRBGHEPD-SFHVURJKSA-N |