8-(2H-1,3-benzodioxole-5-carbonyl)-3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
8-(2H-1,3-benzodioxole-5-carbonyl)-3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
8-(2H-1,3-benzodioxole-5-carbonyl)-3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | E697-0161 |
| Compound Name: | 8-(2H-1,3-benzodioxole-5-carbonyl)-3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C23 H23 N3 O4 |
| Smiles: | Cc1ccc(cc1C)C1C(NC2(CCN(CC2)C(c2ccc3c(c2)OCO3)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8802 |
| logD: | 2.8792 |
| logSw: | -3.2437 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.353 |
| InChI Key: | QJYLXSQUQQEDEQ-UHFFFAOYSA-N |