Chemical ID: 4655307

Cc1ccc(cc1)C2C(=C(C(=O)N2CCO)O)C(=O)c3ccc(cc3)OC
Chemical ID:
4655307
Name [?]:
3-hydroxy-1-(2-hydroxyethyl)-4-(4-methoxybenzoyl)-5-(p-tolyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C2C(=C(C(=O)N2CCO)O)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C21H21NO5/c1-13-3-5-14(6-4-13)18-17(20(25)21(26)22(18)11-12-23)19(24)15-7-9-16(27-2)10-8-15/h3-10,18,23,25H,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,3,7,4,6,21,25,22,24,14,15,2,5,20,23,9,8,18,10,11,13,16,19,17,12,26/E:(3,4)(5,6)(7,8)(9,10)/rA:27cCCCCCCCCCCCONCCOOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s8s11;s13;s14;s15;s10;s9;d18;s18;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21NO5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:8.68017
Area:574.78
Solvation:-5.68933
Coulombic:-67.5092
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:367.395
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.84
LogP (Chemaxon):2.0

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Descriptor Annotations

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