Chemical ID: 4097232

c1cc(ccc1C=C2C(=O)NC(=O)NC2=O)Oc3c(cnc(n3)Cl)F
Chemical ID:
4097232
Name [?]:
5-[[4-(2-chloro-5-fluoro-pyrimidin-4-yl)oxyphenyl]methylene]hexahydropyrimidine-2,4,6-trione
SMILES [?]:
c1cc(ccc1C=C2C(=O)NC(=O)NC2=O)Oc3c(cnc(n3)Cl)F
InChi [?]:
InChI=1/C15H8ClFN4O4/c16-14-18-6-10(17)13(21-14)25-8-3-1-7(2-4-8)5-9-11(22)19-15(24)20-12(9)23/h1-6H,(H2,19,20,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,7,20,6,3,8,19,9,15,18,22,12,24,25,21,11,14,23,10,16,13,17/E:(1,2)(3,4)(11,12)(19,20)(22,23)/rA:25nCCCCCCCCCONCONCOOCCCNCNClF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s9;s11;d12;s12;s8s14;d15;s3;s17;s18;d19;s20;d21;d18s22;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H8ClFN4O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.5828
Area:520.66
Solvation:-4.43371
Coulombic:-76.4331
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:362.7
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.48
LogP (Chemaxon):1.69

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Descriptor Annotations

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