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Chemical ID: 6647516
Chemical ID:
6647516
Name [?]:
N'-[(2-benzyloxyphenyl)methyleneamino]-N-(3-chloro-4-methyl-phenyl)-oxamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)C(=O)NN=Cc2ccccc2OCc3ccccc3
InChi [?]:
InChI=1/C23H20ClN3O3/c1-16-11-12-19(13-20(16)24)26-22(28)23(29)27-25-14-18-9-5-6-10-21(18)30-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,28,27,29,19,20,26,30,18,21,3,4,6,16,24,2,25,17,5,7,22,10,12,8,15,9,14,11,13,23/E:(3,4)(7,8)/rA:30nCCCCCCCClNCOCONNCCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20ClN3O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6765 |
Area: | 667.559 |
Solvation: | -4.0125 |
Coulombic: | -54.7714 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 421.876 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.5 |
LogP (Chemaxon): | 5.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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