2-(5-chloro-2-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(5-chloro-2-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-(5-chloro-2-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K603-0130 |
| Compound Name: | 2-(5-chloro-2-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 303.74 |
| Molecular Formula: | C16 H14 Cl N O3 |
| Smiles: | COc1ccc(cc1N1C(C2C3CC(C=C3)C2C1=O)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0639 |
| logD: | 2.0639 |
| logSw: | -2.8373 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.054 |
| InChI Key: | RYNPVMZONPCMNQ-UHFFFAOYSA-N |