Chemical ID: 4522911

CC1=C(C(NC(=O)N1C)c2ccc(c(c2)OC)OC)C(=O)OC
Chemical ID:
4522911
Name [?]:
methyl 4-(3,4-dimethoxyphenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CC1=C(C(NC(=O)N1C)c2ccc(c(c2)OC)OC)C(=O)OC
InChi [?]:
InChI=1/C16H20N2O5/c1-9-13(15(19)23-5)14(17-16(20)18(9)2)10-6-7-11(21-3)12(8-10)22-4/h6-8,14H,1-5H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,9,19,17,23,11,12,15,2,10,13,14,3,4,20,6,5,8,21,7,18,16,22/rA:23cCCCCNCONCCCCCCCOCOCCOOC/rB:s1;d2;s3;s4;s5;d6;s2s6;s8;s4;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;s3;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:6.4869
Area:486.655
Solvation:-5.67946
Coulombic:-62.8212
Bond Count [?]
All:24
Single:18
Double:6
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:320.34
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:0.62
LogP (Chemaxon):-0.04

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