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Chemical ID: 6413931
Chemical ID:
6413931
Name [?]:
N-(4-chloro-2-methyl-phenyl)-N'-[[4-(1-naphthylmethoxy)phenyl]methyleneamino]oxamide
SMILES [?]:
Cc1cc(ccc1NC(=O)C(=O)NN=Cc2ccc(cc2)OCc3cccc4c3cccc4)Cl
InChi [?]:
InChI=1/C27H22ClN3O3/c1-18-15-22(28)11-14-25(18)30-26(32)27(33)31-29-16-19-9-12-23(13-10-19)34-17-21-7-4-6-20-5-2-3-8-24(20)21/h2-16H,17H2,1H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,32,31,26,33,27,25,30,17,21,5,18,20,6,3,15,23,2,16,28,24,4,19,29,7,9,11,34,14,8,13,10,12,22/E:(9,10)(12,13)/rA:34nCCCCCCCNCOCONNCCCCCCCOCCCCCCCCCCCCl/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;s29;d30;s31;s28d32;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H22ClN3O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.8999 |
Area: | 727.466 |
Solvation: | -4.28678 |
Coulombic: | -54.9331 |
Bond Count [?]
All: | 37 |
Single: | 23 |
Double: | 14 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 471.935 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 6.76 |
LogP (Chemaxon): | 5.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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