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Chemical ID: 7509469
Chemical ID:
7509469
Name [?]:
N-(2-chlorophenyl)-N'-(4-methoxyphenyl)-cyclohex-3-ene-1,6-dicarboxamide
SMILES [?]:
COc1ccc(cc1)NC(=O)C2CC=CCC2C(=O)Nc3ccccc3Cl
InChi [?]:
InChI=1/C21H21ClN2O3/c1-27-15-12-10-14(11-13-15)23-20(25)16-6-2-3-7-17(16)21(26)24-19-9-5-4-8-18(19)22/h2-5,8-13,16-17H,6-7H2,1H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,14,15,24,23,13,16,25,22,5,7,4,8,6,3,12,17,26,21,10,18,27,9,20,11,19,2/E:(10,11)(12,13)/rA:27cCOCCCCCCNCOCCCCCCCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s15;s12s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21ClN2O3 |
All Atoms: | 48 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.3508 |
Area: | 577.323 |
Solvation: | -4.0823 |
Coulombic: | -49.3834 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.41 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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