Chemical ID: 4342654

CCOC(=O)COc1ccc(cc1OC)C=C2C(=O)NC(=O)N(C2=O)c3cc(cc(c3)C)C
Chemical ID:
4342654
Name [?]:
ethyl 2-[4-[[1-(3,5-dimethylphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2-methoxy-phenoxy]acetate
SMILES [?]:
CCOC(=O)COc1ccc(cc1OC)C=C2C(=O)NC(=O)N(C2=O)c3cc(cc(c3)C)C
InChi [?]:
InChI=1/C24H24N2O7/c1-5-32-21(27)13-33-19-7-6-16(12-20(19)31-4)11-18-22(28)25-24(30)26(23(18)29)17-9-14(2)8-15(3)10-17/h6-12H,5,13H2,1-4H3,(H,25,28,30)
InChi Info:
AuxInfo=1/1/N:1,32,33,15,2,10,9,29,31,27,16,12,6,30,28,11,26,17,8,13,4,18,24,21,20,23,5,19,25,22,14,3,7/E:(2,3)(9,10)(14,15)/rA:33nCCOCOCOCCCCCCOCCCCONCONCOCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s11;w16;s17;d18;s18;s20;d21;s21;s17s23;d24;s23;s26;d27;s28;d29;d26s30;s30;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H24N2O7
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:9.46431
Area:698.347
Solvation:-7.99437
Coulombic:-80.1613
Bond Count [?]
All:35
Single:24
Double:11
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:452.457
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:2.96
LogP (Chemaxon):2.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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