5-chloro-2-[(3-methylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-chloro-2-[(3-methylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
5-chloro-2-[(3-methylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3966-0127 |
| Compound Name: | 5-chloro-2-[(3-methylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 304.77 |
| Molecular Formula: | C16 H17 Cl N2 O2 |
| Smiles: | Cc1cccc(c1)NCN1C(C2CC=C(CC2C1=O)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8652 |
| logD: | 2.8652 |
| logSw: | -3.4241 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.843 |
| InChI Key: | DARZMRRLGBYMBO-UHFFFAOYSA-N |