Chemical ID: 7035882

CCOc1cccc(c1)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccc(cc4)OC
Chemical ID:
7035882
Name [?]:
5-(3-ethoxyphenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cccc(c1)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C26H24N2O5/c1-3-33-21-8-4-7-19(14-21)23-22(24(29)18-9-11-20(32-2)12-10-18)25(30)26(31)28(23)16-17-6-5-13-27-15-17/h4-15,23,30H,3,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,2,6,19,18,7,5,27,31,28,30,20,9,22,16,17,26,8,29,4,11,10,24,12,13,21,15,25,23,14,32,3/E:(9,10)(11,12)/rA:33cCCOCCCCCCCCCCONCCCCCNCOCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s12;d13;s10s13;s15;s16;s17;d18;s19;d20;d17s21;s12;s11;d24;s24;s26;d27;s28;d29;d26s30;s29;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H24N2O5
All Atoms:57
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:10.0209
Area:678.211
Solvation:-6.93437
Coulombic:-62.2125
Bond Count [?]
All:36
Single:24
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:444.479
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.91
LogP (Chemaxon):2.04

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Experimental Annotations

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Descriptor Annotations

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