Chemical ID: 4565413

COc1ccc(cc1)C(=O)C2=C(C(=O)NC2c3ccc(cc3OC)OC)O
Chemical ID:
4565413
Name [?]:
5-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1,5-dihydropyrrol-2-one
SMILES [?]:
COc1ccc(cc1)C(=O)C2=C(C(=O)NC2c3ccc(cc3OC)OC)O
InChi [?]:
InChI=1/C20H19NO6/c1-25-12-6-4-11(5-7-12)18(22)16-17(21-20(24)19(16)23)14-9-8-13(26-2)10-15(14)27-3/h4-10,17,23H,1-3H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,26,24,5,7,4,8,19,18,21,6,3,20,17,22,11,16,9,12,13,15,10,27,14,2,25,23/E:(4,5)(6,7)/rA:27cCOCCCCCCCOCCCONCCCCCCCOCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;d11;s12;d13;s13;s11s15;s16;s17;d18;s19;d20;d17s21;s22;s23;s20;s25;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO6
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:7.25495
Area:552.286
Solvation:-6.55221
Coulombic:-68.7051
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:369.368
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.8
LogP (Chemaxon):1.22

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