Chemical ID: 4544414

Cc1cccc(c1)OCC(=O)NN=Cc2ccccc2OCc3ccc(cc3)Cl
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

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