2-(4-{[2-(3-methoxyphenyl)ethyl]amino}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{[2-(3-methoxyphenyl)ethyl]amino}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
2-(4-{[2-(3-methoxyphenyl)ethyl]amino}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0743 |
| Compound Name: | 2-(4-{[2-(3-methoxyphenyl)ethyl]amino}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 437.49 |
| Molecular Formula: | C24 H27 N3 O5 |
| Smiles: | CC1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)NCCc1cccc(c1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9749 |
| logD: | 3.9749 |
| logSw: | -4.2213 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.075 |
| InChI Key: | SRLNWLSQQJFVEU-UHFFFAOYSA-N |