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Chemical ID: 6630017
Chemical ID:
6630017
Name [?]:
N'-[[4-[(4-chlorophenyl)methoxy]phenyl]methyleneamino]-N-(o-tolyl)oxamide
SMILES [?]:
Cc1ccccc1NC(=O)C(=O)NN=Cc2ccc(cc2)OCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H20ClN3O3/c1-16-4-2-3-5-21(16)26-22(28)23(29)27-25-14-17-8-12-20(13-9-17)30-15-18-6-10-19(24)11-7-18/h2-14H,15H2,1H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,25,29,17,21,26,28,18,20,15,23,2,16,24,27,19,7,9,11,30,14,8,13,10,12,22/E:(6,7)(8,9)(10,11)(12,13)/rA:30nCCCCCCCNCOCONNCCCCCCCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20ClN3O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5929 |
Area: | 675.791 |
Solvation: | -4.30189 |
Coulombic: | -54.1452 |
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): | 4.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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