5-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
5-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
5-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | Y070-1499 |
| Compound Name: | 5-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 487.35 |
| Molecular Formula: | C23 H23 Br N2 O5 |
| Smiles: | CN(C)CCN1C(C(=C(C1=O)O)C(c1ccc2c(c1)OCCO2)=O)c1ccc(cc1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5959 |
| logD: | 1.7638 |
| logSw: | -2.7848 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.766 |
| InChI Key: | IMDFIYFOGZIAQL-HXUWFJFHSA-N |