2-(4-{[2-(4-methoxyphenyl)ethyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{[2-(4-methoxyphenyl)ethyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-(4-{[2-(4-methoxyphenyl)ethyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
Compound ID: | K807-0389 |
Compound Name: | 2-(4-{[2-(4-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: | COc1ccc(CCNc2ccc(cc2[N+]([O-])=O)N2C(C3CC=CCC3C2=O)=O)cc1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.5195 |
logD: | 3.5195 |
logSw: | -3.898 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.075 |
InChI Key: | AWBTUUQAMQFWOD-UHFFFAOYSA-N |