Chemical ID: 4223093

CCOc1ccccc1C2C(=C(N(C(=O)N2)C)C)C(=O)OCC
Chemical ID:
4223093
Name [?]:
ethyl 4-(2-ethoxyphenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCOc1ccccc1C2C(=C(N(C(=O)N2)C)C)C(=O)OCC
InChi [?]:
InChI=1/C17H22N2O4/c1-5-22-13-10-8-7-9-12(13)15-14(16(20)23-6-2)11(3)19(4)17(21)18-15/h7-10,15H,5-6H2,1-4H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,23,18,17,2,22,7,6,8,5,12,9,4,11,10,19,14,16,13,20,15,3,21/rA:23cCCOCCCCCCCCCNCONCCCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s12;s13;d14;s10s14;s13;s12;s11;d19;s19;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.43599
Area:507.716
Solvation:-3.2569
Coulombic:-57.4704
Bond Count [?]
All:24
Single:18
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:318.368
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.82
LogP (Chemaxon):0.9

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