Chemical ID: 6621478

c1ccc(c(c1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc(cc3)Br)Cl
Chemical ID:
6621478
Name [?]:
[4-[[2-(4-bromophenoxy)acetyl]aminoiminomethyl]phenyl] 2-chlorobenzoate
SMILES [?]:
c1ccc(c(c1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc(cc3)Br)Cl
InChi [?]:
InChI=1/C22H16BrClN2O4/c23-16-7-11-17(12-8-16)29-14-21(27)26-25-13-15-5-9-18(10-6-15)30-22(28)19-3-1-2-4-20(19)24/h1-13H,14H2,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,14,25,27,11,15,24,28,16,21,13,26,23,10,5,4,19,7,29,30,17,18,20,8,22,9/E:(5,6)(7,8)(9,10)(11,12)/rA:30nCCCCCCCOOCCCCCCCNNCOCOCCCCCCBrCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16BrClN2O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.5012
Area:679.508
Solvation:-6.48652
Coulombic:-46.4643
Bond Count [?]
All:32
Single:20
Double:12
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:487.73
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:6.6
LogP (Chemaxon):5.56

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