Chemical ID: 4564296

COc1ccc(cc1OC)C2C(=C(C(=O)N2)O)C(=O)c3ccccc3
Chemical ID:
4564296
Name [?]:
4-benzoyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-1,5-dihydropyrrol-2-one
SMILES [?]:
COc1ccc(cc1OC)C2C(=C(C(=O)N2)O)C(=O)c3ccccc3
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/h3-10,16,22H,1-2H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,10,23,22,24,21,25,5,4,7,20,6,3,8,12,11,18,13,14,16,19,17,15,2,9/E:(4,5)(6,7)/rA:25cCOCCCCCCOCCCCCONOCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d14;s11s14;s13;s12;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:6.04076
Area:532.417
Solvation:-7.26968
Coulombic:-61.1716
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:339.342
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.62
LogP (Chemaxon):1.47

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Descriptor Annotations

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