Chemical ID: 7024520

COc1ccc(cc1)C2C(=C(C(=O)N2Cc3ccco3)O)C(=O)c4ccc(cc4)F
Chemical ID:
7024520
Name [?]:
4-(4-fluorobenzoyl)-1-(2-furylmethyl)-3-hydroxy-5-(4-methoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
COc1ccc(cc1)C2C(=C(C(=O)N2Cc3ccco3)O)C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C23H18FNO5/c1-29-17-10-6-14(7-11-17)20-19(21(26)15-4-8-16(24)9-5-15)22(27)23(28)25(20)13-18-3-2-12-30-18/h2-12,20,27H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,25,29,5,7,26,28,4,8,19,15,6,24,27,3,16,10,9,22,11,12,30,14,23,21,13,2,20/E:(4,5)(6,7)(8,9)(10,11)/rA:30cCOCCCCCCCCCCONCCCCCOOCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s9s12;s14;s15;d16;s17;d18;s16s19;s11;s10;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18FNO5
All Atoms:48
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:7.41805
Area:606.669
Solvation:-7.74866
Coulombic:-59.6363
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:407.391
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.68
LogP (Chemaxon):2.84

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Descriptor Annotations

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