ethyl 4-{[(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)methyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)methyl]amino}benzoate
ethyl 4-{[(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)methyl]amino}benzoate
Compound characteristics
| Compound ID: | 6131-0156 |
| Compound Name: | ethyl 4-{[(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)methyl]amino}benzoate |
| Molecular Weight: | 362.81 |
| Molecular Formula: | C18 H19 Cl N2 O4 |
| Smiles: | CCOC(c1ccc(cc1)NCN1C(C2CC=C(CC2C1=O)[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2342 |
| logD: | 3.2342 |
| logSw: | -3.6575 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.597 |
| InChI Key: | NKRDJWTYIRUYPP-UHFFFAOYSA-N |