2-{4-[(1,2-diphenylethyl)amino]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[(1,2-diphenylethyl)amino]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{4-[(1,2-diphenylethyl)amino]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-1021 |
| Compound Name: | 2-{4-[(1,2-diphenylethyl)amino]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 479.54 |
| Molecular Formula: | C29 H25 N3 O4 |
| Smiles: | C1C2C=CC1C1C2C(N(C1=O)c1ccc(c(c1)[N+]([O-])=O)NC(Cc1ccccc1)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8784 |
| logD: | 4.8784 |
| logSw: | -4.951 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.701 |
| InChI Key: | VRCJXTHEEQFLGP-UHFFFAOYSA-N |