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Chemical ID: 6632795
Chemical ID:
6632795
Name [?]:
N'-[2-(cyclohexylcarbamoyl)phenyl]-N-[(2-hydroxyphenyl)methyleneamino]oxamide
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC3CCCCC3)O
InChi [?]:
InChI=1/C22H24N4O4/c27-19-13-7-4-8-15(19)14-23-26-22(30)21(29)25-18-12-6-5-11-17(18)20(28)24-16-9-2-1-3-10-16/h4-8,11-14,16,27H,1-3,9-10H2,(H,24,28)(H,25,29)(H,26,30)
InChi Info:
AuxInfo=1/1/N:27,26,28,1,18,17,2,6,25,29,19,16,3,7,5,24,20,15,4,21,12,10,8,23,14,9,30,22,13,11/E:(2,3)(9,10)/rA:30nCCCCCCCNNCOCONCCCCCCCONCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;s23;s24;s25;s26;s27;s24s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N4O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7792 |
Area: | 640.039 |
Solvation: | -4.22178 |
Coulombic: | -83.3622 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 408.451 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | 4.28 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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