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Chemical ID: 6585416
Chemical ID:
6585416
Name [?]:
methyl 5-acetyl-4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
SMILES [?]:
CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccc(cc2)OC)C(=O)C
InChi [?]:
InChI=1/C18H21NO4/c1-10-15(12(3)20)17(13-6-8-14(22-4)9-7-13)16(11(2)19-10)18(21)23-5/h6-9,17,19H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,23,20,12,14,18,15,17,2,6,21,13,16,3,5,4,9,7,22,10,19,11/E:(6,7)(8,9)/rA:23cCCCCCCNCCOOCCCCCCCOCCOC/rB:s1;d2;s3;s4;d5;s2s6;s6;s5;d9;s9;s11;s4;s13;d14;s15;d16;d13s17;s16;s19;s3;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.87699 |
Area: | 483.075 |
Solvation: | -4.19989 |
Coulombic: | -44.223 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 315.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.3 |
LogP (Chemaxon): | 0.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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