5-(3-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
5-(3-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one
5-(3-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | Y070-1489 |
| Compound Name: | 5-(3-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 488.33 |
| Molecular Formula: | C23 H22 Br N O6 |
| Smiles: | COCCCN1C(C(=C(C1=O)O)C(c1ccc2c(c1)OCCO2)=O)c1cccc(c1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8228 |
| logD: | 2.8216 |
| logSw: | -2.9928 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.242 |
| InChI Key: | KNJFFMZUTLUWRR-HXUWFJFHSA-N |