Chemical ID: 4525822

c1ccc(cc1)OCC(=O)NN=Cc2ccc(cc2)OCc3ccccc3Cl
Chemical ID:
4525822
Name [?]:
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyleneamino]-2-phenoxy-acetamide
SMILES [?]:
c1ccc(cc1)OCC(=O)NN=Cc2ccc(cc2)OCc3ccccc3Cl
InChi [?]:
InChI=1/C22H19ClN2O3/c23-21-9-5-4-6-18(21)15-27-20-12-10-17(11-13-20)14-24-25-22(26)16-28-19-7-2-1-3-8-19/h1-14H,15-16H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,24,25,23,3,5,26,15,19,16,18,13,21,8,14,22,4,17,27,9,28,12,11,10,20,7/E:(2,3)(7,8)(10,11)(12,13)/rA:28nCCCCCCOCCONNCCCCCCCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19ClN2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.5446
Area:643.008
Solvation:-6.5306
Coulombic:-35.9279
Bond Count [?]
All:30
Single:19
Double:11
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:394.851
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.92
LogP (Chemaxon):5.06

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