2-{4-[(3,3-diphenylpropyl)amino]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[(3,3-diphenylpropyl)amino]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{4-[(3,3-diphenylpropyl)amino]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
Compound ID: | K807-1019 |
Compound Name: | 2-{4-[(3,3-diphenylpropyl)amino]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
Molecular Weight: | 493.56 |
Molecular Formula: | C30 H27 N3 O4 |
Smiles: | C(CNc1ccc(cc1[N+]([O-])=O)N1C(C2C3CC(C=C3)C2C1=O)=O)C(c1ccccc1)c1ccccc1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.2826 |
logD: | 5.2826 |
logSw: | -5.4704 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.912 |
InChI Key: | WINROZWKZXTYCG-UHFFFAOYSA-N |