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Chemical ID: 4340189

CCCOc1ccc(cc1)C2C(=C(N(C(=C2C(=O)OC)C)C)C)C(=O)OC

Chemical ID:

4340189

Name [?]:

dimethyl 1,2,6-trimethyl-4-(4-propoxyphenyl)-4H-pyridine-3,5-dicarboxylate

SMILES [?]:

CCCOc1ccc(cc1)C2C(=C(N(C(=C2C(=O)OC)C)C)C)C(=O)OC

InChi [?]:

InChI=1/C21H27NO5/c1-7-12-27-16-10-8-15(9-11-16)19-17(20(23)25-5)13(2)22(4)14(3)18(19)21(24)26-6/h8-11,19H,7,12H2,1-6H3

InChi Info:

AuxInfo=1/0/N:1,21,23,22,20,27,2,7,9,6,10,3,15,13,8,5,16,12,11,17,24,14,18,25,19,26,4/E:(2,3)(5,6)(8,9)(10,11)(13,14)(17,18)(20,21)(23,24)(25,26)/rA:27nCCCOCCCCCCCCCNCCCOOCCCCCOOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;s14;s11d15;s16;d17;s17;s19;s15;s14;s13;s12;d24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₇NO₅
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2158
Area:	566.903
Solvation:	-3.95682
Coulombic:	-51.9488

Bond Count [?]

All:	28
Single:	21
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	373.443
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.48
LogP (Chemaxon):	1.21

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value