2-{4-[4-(3-methoxyphenyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[4-(3-methoxyphenyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{4-[4-(3-methoxyphenyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
Compound ID: | K807-1135 |
Compound Name: | 2-{4-[4-(3-methoxyphenyl)piperazin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
Molecular Weight: | 474.52 |
Molecular Formula: | C26 H26 N4 O5 |
Smiles: | COc1cccc(c1)N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)N1C(C2C3CC(C=C3)C2C1=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.1954 |
logD: | 3.1954 |
logSw: | -3.6651 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 76.761 |
InChI Key: | YZQOQVKYZAUFCV-UHFFFAOYSA-N |