2-[(3-chloroanilino)methyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[(3-chloroanilino)methyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-[(3-chloroanilino)methyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 2054-0542 |
| Compound Name: | 2-[(3-chloroanilino)methyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 302.76 |
| Molecular Formula: | C16 H15 Cl N2 O2 |
| Smiles: | C1C2C=CC1C1C2C(N(CNc2cccc(c2)[Cl])C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.525 |
| logD: | 2.525 |
| logSw: | -3.4729 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.496 |
| InChI Key: | QRZWZSAHUUMHES-UHFFFAOYSA-N |