4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7419 |
| Compound Name: | 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 524.57 |
| Molecular Formula: | C28 H32 N2 O8 |
| Smiles: | COc1cc(cc(c1OC)OC)C1C(=C(C(N1CCN1CCCC1)=O)O)C(c1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8979 |
| logD: | 0.4977 |
| logSw: | -2.6102 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.955 |
| InChI Key: | JCKQTCUSQFGZTL-DEOSSOPVSA-N |