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Chemical ID: 4207775
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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