Chemical ID: 4439885

c1ccc(cc1)Oc2cccc(c2)C3C(=C(C(=O)N3CC4CCCO4)O)C(=O)c5ccc(cc5)F
Chemical ID:
4439885
Name [?]:
4-(4-fluorobenzoyl)-3-hydroxy-5-(3-phenoxyphenyl)-1-(tetrahydrofuran-2-ylmethyl)-5H-pyrrol-2-one
SMILES [?]:
c1ccc(cc1)Oc2cccc(c2)C3C(=C(C(=O)N3CC4CCCO4)O)C(=O)c5ccc(cc5)F
InChi [?]:
InChI=1/C28H24FNO5/c29-20-13-11-18(12-14-20)26(31)24-25(30(28(33)27(24)32)17-23-10-5-15-34-23)19-6-4-9-22(16-19)35-21-7-2-1-3-8-21/h1-4,6-9,11-14,16,23,25,32H,5,10,15,17H2
InChi Info:
AuxInfo=1/0/N:1,2,6,10,23,11,3,5,9,22,30,34,31,33,24,13,20,29,12,32,4,8,21,15,14,27,16,17,35,19,28,26,18,25,7/E:(2,3)(7,8)(11,12)(13,14)/rA:35cCCCCCCOCCCCCCCCCCONCCCCCOOCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;s14;d15;s16;d17;s14s17;s19;s20;s21;s22;s23;s21s24;s16;s15;d27;s27;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H24FNO5
All Atoms:35
Heavy Atoms:35
Chiral Atoms:2
ZAP Information [?]
Total:10.9938
Area:689.678
Solvation:-6.24812
Coulombic:-64.1577
Bond Count [?]
All:39
Single:27
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:473.492
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.19
LogP (Chemaxon):4.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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