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Chemical ID: 5710275
Chemical ID:
5710275
Name [?]:
1-hexyl-4-(hydroxy-phenyl-methylene)-5-(3-nitrophenyl)-pyrrolidine-2,3-dione
SMILES [?]:
CCCCCCN1C(C(=C(c2ccccc2)O)C(=O)C1=O)c3cccc(c3)N(=O)=O
InChi [?]:
InChI=1/C23H24N2O5/c1-2-3-4-8-14-24-20(17-12-9-13-18(15-17)25(29)30)19(22(27)23(24)28)21(26)16-10-6-5-7-11-16/h5-7,9-13,15,20,26H,2-4,8,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,14,13,15,5,24,12,16,23,25,6,27,11,22,26,9,8,10,18,20,7,28,17,19,21,29,30/E:(6,7)(10,11)(29,30)/CRV:25.5/rA:30cCCCCCCNCCCCCCCCCOCOCOCCCCCCNOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;w9;s10;s11;d12;s13;d14;d11s15;s10;s9;d18;s7s18;d20;s8;s22;d23;s24;d25;d22s26;s26;d28;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N2O5 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.41276 |
Area: | 600.869 |
Solvation: | -8.60898 |
Coulombic: | -57.7598 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 408.447 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.93 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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