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Chemical ID: 4525822
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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