Chemical ID: 4370188

CC1=C(C(NC(=O)N1C)c2ccc(c(c2)F)F)C(=O)OC
Chemical ID:
4370188
Name [?]:
methyl 4-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CC1=C(C(NC(=O)N1C)c2ccc(c(c2)F)F)C(=O)OC
InChi [?]:
InChI=1/C14H14F2N2O3/c1-7-11(13(19)21-3)12(17-14(20)18(7)2)8-4-5-9(15)10(16)6-8/h4-6,12H,1-3H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,9,21,11,12,15,2,10,13,14,3,4,18,6,17,16,5,8,19,7,20/rA:21cCCCCNCONCCCCCCCFFCOOC/rB:s1;d2;s3;s4;s5;d6;s2s6;s8;s4;s10;d11;s12;d13;d10s14;s14;s13;s3;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14F2N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:6.8813
Area:434.34
Solvation:-3.97721
Coulombic:-56.6001
Bond Count [?]
All:22
Single:16
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:296.269
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.38
LogP (Chemaxon):0.75

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