1-[6-acetyl-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-2-yl]-2-(4-chlorophenyl)ethan-1-one
Chemical Structure Depiction of
1-[6-acetyl-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-2-yl]-2-(4-chlorophenyl)ethan-1-one
1-[6-acetyl-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-2-yl]-2-(4-chlorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB59-0347 |
| Compound Name: | 1-[6-acetyl-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-2-yl]-2-(4-chlorophenyl)ethan-1-one |
| Molecular Weight: | 387.87 |
| Molecular Formula: | C19 H22 Cl N5 O2 |
| Smiles: | CC(N1CC(c2nncn2C)C2(C1)CN(C2)C(Cc1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7586 |
| logD: | 0.7584 |
| logSw: | -2.1137 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.818 |
| InChI Key: | WTLQNRZGCRTSOP-MRXNPFEDSA-N |