Chemical ID: 6627810

COc1cccc(c1)C(=O)NN=Cc2cccc(c2)OC(=O)c3ccc(cc3)Cl
Chemical ID:
6627810
Name [?]:
[3-[(3-methoxybenzoyl)aminoiminomethyl]phenyl] 4-chlorobenzoate
SMILES [?]:
COc1cccc(c1)C(=O)NN=Cc2cccc(c2)OC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H17ClN2O4/c1-28-19-6-3-5-17(13-19)21(26)25-24-14-15-4-2-7-20(12-15)29-22(27)16-8-10-18(23)11-9-16/h2-14H,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,16,5,15,6,4,17,24,28,25,27,19,8,13,14,23,7,26,3,18,9,21,29,12,11,10,22,2,20/E:(8,9)(10,11)/rA:29nCOCCCCCCCONNCCCCCCCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17ClN2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.961
Area:646.387
Solvation:-5.1987
Coulombic:-47.9048
Bond Count [?]
All:31
Single:19
Double:12
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:408.834
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:6.03
LogP (Chemaxon):4.74

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