4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | Y070-1493 |
| Compound Name: | 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C25 H28 N2 O6 |
| Smiles: | CN(C)CCCN1C(C(=C(C1=O)O)C(c1ccc2c(c1)OCCO2)=O)c1cccc(c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7283 |
| logD: | -0.2204 |
| logSw: | -2.2198 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.309 |
| InChI Key: | XNHVWCQEUBHTRR-QFIPXVFZSA-N |