Chemical ID: 4342814

Cc1cc(cc(c1)N2C(=O)C(=Cc3ccc(c(c3)OC)OCC(=O)OC)C(=O)NC2=O)C
Chemical ID:
4342814
Name [?]:
methyl 2-[4-[[1-(3,5-dimethylphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2-methoxy-phenoxy]acetate
SMILES [?]:
Cc1cc(cc(c1)N2C(=O)C(=Cc3ccc(c(c3)OC)OCC(=O)OC)C(=O)NC2=O)C
InChi [?]:
InChI=1/C23H22N2O7/c1-13-7-14(2)9-16(8-13)25-22(28)17(21(27)24-23(25)29)10-15-5-6-18(19(11-15)30-3)32-12-20(26)31-4/h5-11H,12H2,1-4H3,(H,24,27,29)
InChi Info:
AuxInfo=1/1/N:1,32,20,26,14,15,3,7,5,12,18,22,2,4,13,6,11,16,17,23,27,9,30,29,8,24,28,10,31,19,25,21/E:(1,2)(8,9)(13,14)/rA:32nCCCCCCCNCOCCCCCCCCOCOCCOOCCONCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s22;d23;s23;s25;s11;d27;s27;s8s29;d30;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22N2O7
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:8.7573
Area:669.421
Solvation:-7.97823
Coulombic:-79.9357
Bond Count [?]
All:34
Single:23
Double:11
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:438.43
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:2.54
LogP (Chemaxon):2.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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