8-acetyl-N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
Chemical Structure Depiction of
8-acetyl-N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
8-acetyl-N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
Compound characteristics
| Compound ID: | E616-0894 |
| Compound Name: | 8-acetyl-N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide |
| Molecular Weight: | 482.62 |
| Molecular Formula: | C27 H38 N4 O4 |
| Smiles: | CC1=C(C(NCCCN2CCN(CC2)c2cc(C)ccc2C)=O)C2(CCN(CC2)C(C)=O)OC1=O |
| Stereo: | ACHIRAL |
| logP: | 2.3361 |
| logD: | 1.1895 |
| logSw: | -2.8014 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.456 |
| InChI Key: | WKUQEWMSJUPQAM-UHFFFAOYSA-N |