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Chemical ID: 6632900
Chemical ID:
6632900
Name [?]:
N'-[(3-chlorophenyl)methyleneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]-oxamide
SMILES [?]:
c1ccc(c(c1)C(=O)NC2CCCCC2)NC(=O)C(=O)NN=Cc3cccc(c3)Cl
InChi [?]:
InChI=1/C22H23ClN4O3/c23-16-8-6-7-15(13-16)14-24-27-22(30)21(29)26-19-12-5-4-11-18(19)20(28)25-17-9-2-1-3-10-17/h4-8,11-14,17H,1-3,9-10H2,(H,25,28)(H,26,29)(H,27,30)
InChi Info:
AuxInfo=1/1/N:13,12,14,1,2,26,25,27,11,15,6,3,29,23,24,28,10,5,4,7,17,19,30,22,9,16,21,8,18,20/E:(2,3)(9,10)/rA:30nCCCCCCCONCCCCCCNCOCONNCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s13;s10s14;s4;s16;d17;s17;d19;s19;s21;w22;s23;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23ClN4O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.0549 |
Area: | 659.204 |
Solvation: | -3.42521 |
Coulombic: | -68.0695 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 426.896 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 5.31 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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