2-{[4-(4-bromophenoxy)anilino]methyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[4-(4-bromophenoxy)anilino]methyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
2-{[4-(4-bromophenoxy)anilino]methyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3043-0201 |
| Compound Name: | 2-{[4-(4-bromophenoxy)anilino]methyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 443.34 |
| Molecular Formula: | C22 H23 Br N2 O3 |
| Smiles: | CC1CCC2C(C1)C(N(CNc1ccc(cc1)Oc1ccc(cc1)[Br])C2=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4255 |
| logD: | 5.4255 |
| logSw: | -5.2975 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.591 |
| InChI Key: | LDALHFVGDABISL-UHFFFAOYSA-N |