2-[(4-acetylanilino)methyl]-5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[(4-acetylanilino)methyl]-5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-[(4-acetylanilino)methyl]-5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 4386-0342 |
| Compound Name: | 2-[(4-acetylanilino)methyl]-5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 332.78 |
| Molecular Formula: | C17 H17 Cl N2 O3 |
| Smiles: | CC(c1ccc(cc1)NCN1C(C2CC=C(CC2C1=O)[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1749 |
| logD: | 2.1749 |
| logSw: | -3.3232 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.67 |
| InChI Key: | MVNKCAOFHKGGTN-UHFFFAOYSA-N |