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Chemical ID: 4083468
Chemical ID:
4083468
Name [?]:
dimethyl 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILES [?]:
CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccc(cc2)OC)C(=O)OC
InChi [?]:
InChI=1/C18H21NO5/c1-10-14(17(20)23-4)16(12-6-8-13(22-3)9-7-12)15(11(2)19-10)18(21)24-5/h6-9,16,19H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,20,24,12,14,18,15,17,2,6,13,16,3,5,4,21,9,7,22,10,19,23,11/E:(1,2)(4,5)(6,7)(8,9)(10,11)(14,15)(17,18)(20,21)(23,24)/rA:24nCCCCCCNCCOOCCCCCCCOCCOOC/rB:s1;d2;s3;s4;d5;s2s6;s6;s5;d9;s9;s11;s4;s13;d14;s15;d16;d13s17;s16;s19;s3;d21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.53324 |
Area: | 500.965 |
Solvation: | -3.99089 |
Coulombic: | -56.367 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 331.363 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.4 |
LogP (Chemaxon): | 0.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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