Chemical ID: 4813453

COc1ccc(cc1)C2C(=C(C(=O)N2)O)C(=O)c3ccc(cc3)OC
Chemical ID:
4813453
Name [?]:
3-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1,5-dihydropyrrol-2-one
SMILES [?]:
COc1ccc(cc1)C2C(=C(C(=O)N2)O)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C19H17NO5/c1-24-13-7-3-11(4-8-13)16-15(18(22)19(23)20-16)17(21)12-5-9-14(25-2)10-6-12/h3-10,16,22H,1-2H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,25,5,7,19,23,4,8,20,22,6,18,3,21,10,9,16,11,12,14,17,15,13,2,24/E:(3,4)(5,6)(7,8)(9,10)/rA:25cCOCCCCCCCCCCONOCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s9s12;s11;s10;d16;s16;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:7.07461
Area:540.043
Solvation:-6.42646
Coulombic:-61.2019
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:2.89
LogP (Chemaxon):1.47

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