Chemical ID: 4378146

COc1cc(ccc1O)C=C2C(=O)NC(=O)N(C2=O)c3ccccc3F
Chemical ID:
4378146
Name [?]:
1-(2-fluorophenyl)-5-[(4-hydroxy-3-methoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione
SMILES [?]:
COc1cc(ccc1O)C=C2C(=O)NC(=O)N(C2=O)c3ccccc3F
InChi [?]:
InChI=1/C18H13FN2O5/c1-26-15-9-10(6-7-14(15)22)8-11-16(23)20-18(25)21(17(11)24)13-5-3-2-4-12(13)19/h2-9,22H,1H3,(H,20,23,25)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,21,6,7,10,4,5,11,25,20,8,3,12,18,15,26,14,17,9,13,19,16,2/rA:26nCOCCCCCCOCCCONCONCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;d12;s12;s14;d15;s15;s11s17;d18;s17;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13FN2O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:6.78441
Area:523.068
Solvation:-6.2923
Coulombic:-74.6602
Bond Count [?]
All:28
Single:18
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:356.305
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.07
LogP (Chemaxon):2.22

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