Chemical ID: 7060332

CCOc1cc(ccc1O)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccncc4
Chemical ID:
7060332
Name [?]:
5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-4-(4-pyridylcarbonyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cc(ccc1O)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccncc4
InChi [?]:
InChI=1/C24H21N3O5/c1-2-32-19-12-17(5-6-18(19)28)21-20(22(29)16-7-10-25-11-8-16)23(30)24(31)27(21)14-15-4-3-9-26-13-15/h3-13,21,28,30H,2,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,19,7,8,28,32,21,29,31,5,23,17,18,27,6,9,4,12,11,25,13,14,30,22,16,10,26,24,15,3/E:(7,8)(10,11)/rA:32cCCOCCCCCCOCCCCONCCCCCNCOCOCCCNCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;d12;s13;d14;s11s14;s16;s17;s18;d19;s20;d21;d18s22;s13;s12;d25;s25;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21N3O5
All Atoms:53
Heavy Atoms:32
Chiral Atoms:None
ZAP Information [?]
Total:8.38371
Area:650.049
Solvation:-7.86751
Coulombic:-73.4016
Bond Count [?]
All:35
Single:23
Double:12
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.34
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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