2-[(4-bromoanilino)methyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[(4-bromoanilino)methyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-[(4-bromoanilino)methyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3448-2293 |
| Compound Name: | 2-[(4-bromoanilino)methyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 347.21 |
| Molecular Formula: | C16 H15 Br N2 O2 |
| Smiles: | C1C2C=CC1C1C2C(N(CNc2ccc(cc2)[Br])C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7329 |
| logD: | 2.7329 |
| logSw: | -3.1317 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.496 |
| InChI Key: | XMHPLDXMHVGPMD-UHFFFAOYSA-N |