Chemical ID: 5842012

c1cc(ccc1N2C(=O)C(=Cc3ccc(s3)Cl)C(=O)NC2=O)F
Chemical ID:
5842012
Name [?]:
5-[(5-chloro-2-thienyl)methylene]-1-(4-fluorophenyl)-hexahydropyrimidine-2,4,6-trione
SMILES [?]:
c1cc(ccc1N2C(=O)C(=Cc3ccc(s3)Cl)C(=O)NC2=O)F
InChi [?]:
InChI=1/C15H8ClFN2O3S/c16-12-6-5-10(23-12)7-11-13(20)18-15(22)19(14(11)21)9-3-1-8(17)2-4-9/h1-7H,(H,18,20,22)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,13,14,11,3,6,12,10,15,18,8,21,17,23,20,7,19,9,22,16/E:(1,2)(3,4)/rA:23nCCCCCCNCOCCCCCCSClCONCOF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;w10;s11;d12;s13;d14;s12s15;s15;s10;d18;s18;s7s20;d21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H8ClFN2O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.61165
Area:499.08
Solvation:-3.86536
Coulombic:-51.8308
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:350.753
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.83
LogP (Chemaxon):2.62

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Descriptor Annotations

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