Chemical ID: 6626332

c1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccccc3Cl
Chemical ID:
6626332
Name [?]:
[4-[[2-(2-chlorophenoxy)acetyl]aminoiminomethyl]phenyl] benzoate
SMILES [?]:
c1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccccc3Cl
InChi [?]:
InChI=1/C22H17ClN2O4/c23-19-8-4-5-9-20(19)28-15-21(26)25-24-14-16-10-12-18(13-11-16)29-22(27)17-6-2-1-3-7-17/h1-14H,15H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,26,25,3,5,27,24,12,14,11,15,16,21,13,4,10,28,23,19,7,29,17,18,20,8,22,9/E:(2,3)(6,7)(10,11)(12,13)/rA:29nCCCCCCCOOCCCCCCCNNCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17ClN2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.85969
Area:655.913
Solvation:-6.53814
Coulombic:-47.4782
Bond Count [?]
All:31
Single:19
Double:12
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:408.834
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.8
LogP (Chemaxon):4.76

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