Chemical ID: 4210375

c1cc(cnc1)CN2C(C(=C(C2=O)O)C(=O)c3ccc(cc3)F)c4ccc(cc4)O
Chemical ID:
4210375
Name [?]:
4-(4-fluorobenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
c1cc(cnc1)CN2C(C(=C(C2=O)O)C(=O)c3ccc(cc3)F)c4ccc(cc4)O
InChi [?]:
InChI=1/C23H17FN2O4/c24-17-7-3-16(4-8-17)21(28)19-20(15-5-9-18(27)10-6-15)26(23(30)22(19)29)13-14-2-1-11-25-12-14/h1-12,20,27,29H,13H2
InChi Info:
AuxInfo=1/0/N:1,2,18,22,25,29,19,21,26,28,6,4,7,3,24,17,20,27,10,9,15,11,12,23,5,8,30,16,14,13/E:(3,4)(5,6)(7,8)(9,10)/rA:30cCCCCNCCNCCCCOOCOCCCCCCFCCCCCCO/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;s9;d10;s8s11;d12;s11;s10;d15;s15;s17;d18;s19;d20;d17s21;s20;s9;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17FN2O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:7.7672
Area:565.272
Solvation:-6.36459
Coulombic:-67.0965
Bond Count [?]
All:33
Single:21
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:404.391
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.41
LogP (Chemaxon):1.93

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Descriptor Annotations

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