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Chemical ID: 5458654
Chemical ID:
5458654
Name [?]:
1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)amino-pyrrolidine-2,5-dione
SMILES [?]:
Cc1cccc(c1N2C(=O)CC(C2=O)Nc3cccc(c3)OC)C
InChi [?]:
InChI=1/C19H20N2O3/c1-12-6-4-7-13(2)18(12)21-17(22)11-16(19(21)23)20-14-8-5-9-15(10-14)24-3/h4-10,16,20H,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,23,4,18,3,5,17,19,21,11,2,6,16,20,12,9,7,13,15,8,10,14,22/E:(1,2)(6,7)(12,13)/rA:24cCCCCCCCNCOCCCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s8s12;d13;s12;s15;s16;d17;s18;d19;d16s20;s20;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.07634 |
Area: | 519.738 |
Solvation: | -4.91711 |
Coulombic: | -42.9722 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.374 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.94 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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