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
Available: 76 mg
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mg
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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
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