Chemical ID: 4207775

CCCOc1ccc(cc1)C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC
Chemical ID:
4207775
Name [?]:
dimethyl 2,6-dimethyl-4-(4-propoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILES [?]:
CCCOc1ccc(cc1)C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC
InChi [?]:
InChI=1/C20H25NO5/c1-6-11-26-15-9-7-14(8-10-15)18-16(19(22)24-4)12(2)21-13(3)17(18)20(23)25-5/h7-10,18,21H,6,11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,21,22,20,26,2,7,9,6,10,3,15,13,8,5,16,12,11,17,23,14,18,24,19,25,4/E:(2,3)(4,5)(7,8)(9,10)(12,13)(16,17)(19,20)(22,23)(24,25)/rA:26nCCCOCCCCCCCCCNCCCOOCCCCOOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;s14;s11d15;s16;d17;s17;s19;s15;s13;s12;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25NO5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.95339
Area:551.392
Solvation:-3.83142
Coulombic:-57.1185
Bond Count [?]
All:27
Single:20
Double:7
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:359.416
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.18
LogP (Chemaxon):0.85

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Descriptor Annotations

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