3-(4-ethylphenyl)-5-(2-methyl-4-nitrophenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone
Chemical Structure Depiction of
3-(4-ethylphenyl)-5-(2-methyl-4-nitrophenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone
3-(4-ethylphenyl)-5-(2-methyl-4-nitrophenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone
Compound characteristics
Compound ID: | 5645-0326 |
Compound Name: | 3-(4-ethylphenyl)-5-(2-methyl-4-nitrophenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone |
Molecular Weight: | 510.5 |
Molecular Formula: | C29 H22 N2 O7 |
Smiles: | CCc1ccc(cc1)C1C2C(C(N(C2=O)c2ccc(cc2C)[N+]([O-])=O)=O)C2(C(c3ccccc3C2=O)=O)O1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.6447 |
logD: | 4.6447 |
logSw: | -4.6165 |
Hydrogen bond acceptors count: | 13 |
Polar surface area: | 96.815 |
InChI Key: | IPVRXYPKVIERMQ-UHFFFAOYSA-N |