Chemical ID: 7060145

CCOc1ccc(cc1)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccncc4
Chemical ID:
7060145
Name [?]:
5-(4-ethoxyphenyl)-3-hydroxy-4-(4-pyridylcarbonyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccncc4
InChi [?]:
InChI=1/C24H21N3O4/c1-2-31-19-7-5-17(6-8-19)21-20(22(28)18-9-12-25-13-10-18)23(29)24(30)27(21)15-16-4-3-11-26-14-16/h3-14,21,29H,2,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,19,18,6,8,5,9,27,31,20,28,30,22,16,17,7,26,4,11,10,24,12,13,29,21,15,25,23,14,3/E:(5,6)(7,8)(9,10)(12,13)/rA:31cCCOCCCCCCCCCCONCCCCCNCOCOCCCNCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s10s13;s15;s16;s17;d18;s19;d20;d17s21;s12;s11;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21N3O4
All Atoms:52
Heavy Atoms:31
Chiral Atoms:None
ZAP Information [?]
Total:9.57404
Area:641.95
Solvation:-6.47471
Coulombic:-58.35
Bond Count [?]
All:34
Single:22
Double:12
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.74
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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