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Chemical ID: 5803251
Chemical ID:
5803251
Name [?]:
cyclohexyl 4,7-bis(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILES [?]:
CC1=C(C(C2=C(N1)CC(CC2=O)c3ccc(cc3)OC)c4ccc(cc4)OC)C(=O)OC5CCCCC5
InChi [?]:
InChI=1/C31H35NO5/c1-19-28(31(34)37-25-7-5-4-6-8-25)29(21-11-15-24(36-3)16-12-21)30-26(32-19)17-22(18-27(30)33)20-9-13-23(35-2)14-10-20/h9-16,22,25,29,32H,4-8,17-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,28,35,34,36,33,37,14,18,22,26,15,17,23,25,8,10,2,13,21,9,16,24,32,6,11,3,4,5,29,7,12,30,19,27,31/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:37cCCCCCCNCCCCOCCCCCCOCCCCCCCOCCOOCCCCCC/rB:s1;d2;s3;s4;d5;s2s6;s6;s8;s9;s5s10;d11;s9;s13;d14;s15;d16;d13s17;s16;s19;s4;s21;d22;s23;d24;d21s25;s24;s27;s3;d29;s29;s31;s32;s33;s34;s35;s32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H35NO5 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.0438 |
Area: | 707.675 |
Solvation: | -5.64811 |
Coulombic: | -53.5385 |
Bond Count [?]
All: | 41 |
Single: | 31 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 501.613 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.23 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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