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Chemical ID: 6632689
Chemical ID:
6632689
Name [?]:
N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(4-fluorophenyl)methyleneamino]oxamide
SMILES [?]:
c1ccc(c(c1)C(=O)NC2CCCCC2)NC(=O)C(=O)NN=Cc3ccc(cc3)F
InChi [?]:
InChI=1/C22H23FN4O3/c23-16-12-10-15(11-13-16)14-24-27-22(30)21(29)26-19-9-5-4-8-18(19)20(28)25-17-6-2-1-3-7-17/h4-5,8-14,17H,1-3,6-7H2,(H,25,28)(H,26,29)(H,27,30)
InChi Info:
AuxInfo=1/1/N:13,12,14,1,2,11,15,6,3,25,29,26,28,23,24,27,10,5,4,7,17,19,30,22,9,16,21,8,18,20/E:(2,3)(6,7)(10,11)(12,13)/rA:30nCCCCCCCONCCCCCCNCOCONNCCCCCCCF/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;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23FN4O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4208 |
Area: | 630.747 |
Solvation: | -4.34785 |
Coulombic: | -70.8435 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 410.442 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 4.85 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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