Chemical ID: 4819919

Cc1ccc(cc1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc(cc4C)OC
Chemical ID:
4819919
Name [?]:
3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-1-(2-morpholinoethyl)-5-(p-tolyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc(cc4C)OC
InChi [?]:
InChI=1/C26H30N2O5/c1-17-4-6-19(7-5-17)23-22(24(29)21-9-8-20(32-3)16-18(21)2)25(30)26(31)28(23)11-10-27-12-14-33-15-13-27/h4-9,16,23,30H,10-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,33,3,7,4,6,27,26,15,14,17,21,18,20,29,2,30,5,28,25,9,8,23,10,11,16,13,24,22,12,32,19/E:(4,5)(6,7)(12,13)(14,15)/rA:33cCCCCCCCCCCCONCCNCCOCCOCOCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s8s11;s13;s14;s15;s16;s17;s18;s19;s16s20;s10;s9;d23;s23;s25;d26;s27;d28;d25s29;s30;s28;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H30N2O5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:9.67591
Area:660.098
Solvation:-6.82655
Coulombic:-63.2954
Bond Count [?]
All:36
Single:27
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:450.527
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.44
LogP (Chemaxon):1.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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