Chemical ID: 4148821

CCOc1ccc(cc1)C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC
Chemical ID:
4148821
Name [?]:
dimethyl 4-(4-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILES [?]:
CCOc1ccc(cc1)C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC
InChi [?]:
InChI=1/C19H23NO5/c1-6-25-14-9-7-13(8-10-14)17-15(18(21)23-4)11(2)20-12(3)16(17)19(22)24-5/h7-10,17,20H,6H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,20,21,19,25,2,6,8,5,9,14,12,7,4,15,11,10,16,22,13,17,23,18,24,3/E:(2,3)(4,5)(7,8)(9,10)(11,12)(15,16)(18,19)(21,22)(23,24)/rA:25nCCOCCCCCCCCCNCCCOOCCCCOOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s13;s10d14;s15;d16;s16;s18;s14;s12;s11;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23NO5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.3058
Area:526.202
Solvation:-3.84924
Coulombic:-56.6441
Bond Count [?]
All:26
Single:19
Double:7
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:345.39
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.82
LogP (Chemaxon):0.38

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Descriptor Annotations

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