2-(4-{[2-(3-methoxyphenyl)ethyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{[2-(3-methoxyphenyl)ethyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-(4-{[2-(3-methoxyphenyl)ethyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0412 |
| Compound Name: | 2-(4-{[2-(3-methoxyphenyl)ethyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C23 H23 N3 O5 |
| Smiles: | COc1cccc(CCNc2ccc(cc2[N+]([O-])=O)N2C(C3CC=CCC3C2=O)=O)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5365 |
| logD: | 3.5365 |
| logSw: | -3.8789 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.075 |
| InChI Key: | KLTLZOMTTJXTCQ-UHFFFAOYSA-N |