Chemical ID: 6747841

Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)C)c3ccc(c(c3)OC)OC)O
Chemical ID:
6747841
Name [?]:
5-(3,4-dimethoxyphenyl)-4-[hydroxy-(p-tolyl)methylene]-1-methyl-pyrrolidine-2,3-dione
SMILES [?]:
Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)C)c3ccc(c(c3)OC)OC)O
InChi [?]:
InChI=1/C21H21NO5/c1-12-5-7-13(8-6-12)19(23)17-18(22(2)21(25)20(17)24)14-9-10-15(26-3)16(11-14)27-4/h5-11,18,23H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,26,24,3,7,4,6,18,19,22,2,5,17,20,21,9,10,8,14,12,11,27,15,13,25,23/E:(5,6)(7,8)/rA:27cCCCCCCCCCCNCOCOCCCCCCCOCOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;s11;d12;s9s12;d14;s11;s10;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21NO5
All Atoms:48
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:6.63191
Area:560.972
Solvation:-7.3924
Coulombic:-56.7309
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:367.395
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.55
LogP (Chemaxon):1.73

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Descriptor Annotations

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