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Chemical ID: 7491738
Chemical ID:
7491738
Name [?]:
N,N'-bis(3-chloro-4-methoxy-phenyl)cyclohexane-1,4-dicarboxamide
SMILES [?]:
COc1ccc(cc1Cl)NC(=O)C2CCC(CC2)C(=O)Nc3ccc(c(c3)Cl)OC
InChi [?]:
InChI=1/C22H24Cl2N2O4/c1-29-19-9-7-15(11-17(19)23)25-21(27)13-3-5-14(6-4-13)22(28)26-16-8-10-20(30-2)18(24)12-16/h7-14H,3-6H2,1-2H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,30,14,18,15,17,5,23,4,24,7,27,13,16,6,22,8,26,3,25,11,19,9,28,10,21,12,20,2,29/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/gE:(1,2)/rA:30nCOCCCCCCClNCOCCCCCCCONCCCCCCClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s25;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24Cl2N2O4 |
All Atoms: | 54 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8393 |
Area: | 677.652 |
Solvation: | -6.10203 |
Coulombic: | -54.9664 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 451.342 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.04 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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