1-{2-[(4-chlorophenyl)acetyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl}-2-methoxyethan-1-one
Chemical Structure Depiction of
1-{2-[(4-chlorophenyl)acetyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl}-2-methoxyethan-1-one
1-{2-[(4-chlorophenyl)acetyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl}-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | SB59-0539 |
| Compound Name: | 1-{2-[(4-chlorophenyl)acetyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl}-2-methoxyethan-1-one |
| Molecular Weight: | 417.89 |
| Molecular Formula: | C20 H24 Cl N5 O3 |
| Smiles: | Cn1cnnc1C1CN(CC12CN(C2)C(Cc1ccc(cc1)[Cl])=O)C(COC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2424 |
| logD: | 0.2422 |
| logSw: | -2.1002 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.247 |
| InChI Key: | LLZNOLKYDXFVDQ-MRXNPFEDSA-N |