Chemical ID: 7399234

c1cc(cc(c1)F)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)C=Cc4ccco4
Chemical ID:
7399234
Name [?]:
5-(3-fluorophenyl)-4-[3-(2-furyl)prop-2-enoyl]-3-hydroxy-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
c1cc(cc(c1)F)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)C=Cc4ccco4
InChi [?]:
InChI=1/C23H17FN2O4/c24-17-6-1-5-16(12-17)21-20(19(27)9-8-18-7-3-11-30-18)22(28)23(29)26(21)14-15-4-2-10-25-13-15/h1-13,21,28H,14H2
InChi Info:
AuxInfo=1/0/N:1,17,28,16,2,6,27,25,24,18,29,4,20,14,15,3,5,26,22,9,8,10,11,7,19,13,23,21,12,30/rA:30cCCCCCCFCCCCONCCCCCNCOCOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s8s11;s13;s14;s15;d16;s17;d18;d15s19;s10;s9;d22;s22;w24;s25;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17FN2O4
All Atoms:47
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:7.0094
Area:591.492
Solvation:-7.7779
Coulombic:-54.6181
Bond Count [?]
All:33
Single:21
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:404.391
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.79
LogP (Chemaxon):1.68

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Descriptor Annotations

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