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Chemical ID: 4544414
Chemical ID:
4544414
Name [?]:
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyleneamino]-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)NN=Cc2ccccc2OCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H21ClN2O3/c1-17-5-4-7-21(13-17)28-16-23(27)26-25-14-19-6-2-3-8-22(19)29-15-18-9-11-20(24)12-10-18/h2-14H,15-16H2,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,17,18,4,3,16,5,19,24,28,25,27,7,14,22,9,2,23,15,26,6,20,10,29,13,12,11,8,21/E:(9,10)(11,12)/rA:29nCCCCCCCOCCONNCCCCCCCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21ClN2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0658 |
Area: | 671.722 |
Solvation: | -6.72722 |
Coulombic: | -35.8117 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 408.877 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.36 |
LogP (Chemaxon): | 5.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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