Chemical ID: 6496517

CCOC(=O)C1=C(NC(=C(C1c2ccc(c(c2)C(C)(C)C)OC)C(=O)OCC)C)C
Chemical ID:
6496517
Name [?]:
diethyl 4-(4-methoxy-3-tert-butyl-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILES [?]:
CCOC(=O)C1=C(NC(=C(C1c2ccc(c(c2)C(C)(C)C)OC)C(=O)OCC)C)C
InChi [?]:
InChI=1/C24H33NO5/c1-9-29-22(26)19-14(3)25-15(4)20(23(27)30-10-2)21(19)16-11-12-18(28-8)17(13-16)24(5,6)7/h11-13,21,25H,9-10H2,1-8H3
InChi Info:
AuxInfo=1/0/N:1,28,30,29,19,20,21,23,2,27,13,14,17,7,9,12,16,15,6,10,11,4,24,18,8,5,25,22,3,26/E:(1,2)(3,4)(5,6,7)(9,10)(14,15)(19,20)(22,23)(26,27)(29,30)/rA:30nCCOCOCCNCCCCCCCCCCCCCOCCOOCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s6s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s18;s18;s15;s22;s10;d24;s24;s26;s27;s9;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H33NO5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.5239
Area:599.669
Solvation:-3.46781
Coulombic:-57.8464
Bond Count [?]
All:31
Single:24
Double:7
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:415.523
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.85
LogP (Chemaxon):2.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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