Chemical ID: 7461972

COc1ccc(cc1OC)C2C(=C(c3ccccc3)O)C(=O)C(=O)N2
Chemical ID:
7461972
Name [?]:
5-(3,4-dimethoxyphenyl)-4-(hydroxy-phenyl-methylene)-pyrrolidine-2,3-dione
SMILES [?]:
COc1ccc(cc1OC)C2C(=C(c3ccccc3)O)C(=O)C(=O)N2
InChi [?]:
InChI=1/C19H17NO5/c1-24-13-9-8-12(10-14(13)25-2)16-15(18(22)19(23)20-16)17(21)11-6-4-3-5-7-11/h3-10,16,21H,1-2H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,10,17,16,18,15,19,5,4,7,14,6,3,8,12,11,13,21,23,25,20,22,24,2,9/E:(4,5)(6,7)/rA:25cCOCCCCCCOCCCCCCCCCCOCOCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;w12;s13;s14;d15;s16;d17;d14s18;s13;s12;d21;s21;d23;s11s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO5
All Atoms:42
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:5.56381
Area:504.513
Solvation:-7.04901
Coulombic:-62.0964
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:339.342
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.98
LogP (Chemaxon):1.02

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