Chemical ID: 4856484

CCCOc1cccc(c1)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccc(cc4)F
Chemical ID:
4856484
Name [?]:
4-(4-fluorobenzoyl)-3-hydroxy-5-(3-propoxyphenyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1cccc(c1)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C26H23FN2O4/c1-2-13-33-21-7-3-6-19(14-21)23-22(24(30)18-8-10-20(27)11-9-18)25(31)26(32)29(23)16-17-5-4-12-28-15-17/h3-12,14-15,23,31H,2,13,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,20,19,8,6,28,32,29,31,21,3,10,23,17,18,27,9,30,5,12,11,25,13,14,33,22,16,26,24,15,4/E:(8,9)(10,11)/rA:33cCCCOCCCCCCCCCCONCCCCCNCOCOCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s13;d14;s11s14;s16;s17;s18;d19;s20;d21;d18s22;s13;s12;d25;s25;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H23FN2O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:10.4294
Area:677.741
Solvation:-6.51414
Coulombic:-59.2477
Bond Count [?]
All:36
Single:24
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:446.47
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.51
LogP (Chemaxon):2.77

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Descriptor Annotations

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