Chemical ID: 4126282

COc1cc(ccc1O)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccc(cc4)F
Chemical ID:
4126282
Name [?]:
4-(4-fluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
COc1cc(ccc1O)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C24H19FN2O5/c1-32-19-11-16(6-9-18(19)28)21-20(22(29)15-4-7-17(25)8-5-15)23(30)24(31)27(21)13-14-3-2-10-26-12-14/h2-12,21,28,30H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,27,31,6,28,30,7,20,4,22,16,17,26,5,29,8,3,11,10,24,12,13,32,21,15,9,25,23,14,2/E:(4,5)(7,8)/rA:32cCOCCCCCCOCCCCONCCCCCNCOCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;s10;d11;s12;d13;s10s13;s15;s16;s17;d18;s19;d20;d17s21;s12;s11;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19FN2O5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:7.44706
Area:630.192
Solvation:-8.30773
Coulombic:-73.3251
Bond Count [?]
All:35
Single:23
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:434.417
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.33
LogP (Chemaxon):1.65

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Descriptor Annotations

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