Chemical ID: 6621386

COc1cccc(c1)C(=O)NN=Cc2ccc(cc2)OC(=O)c3ccccc3Cl
Chemical ID:
6621386
Name [?]:
[4-[(3-methoxybenzoyl)aminoiminomethyl]phenyl] 2-chlorobenzoate
SMILES [?]:
COc1cccc(c1)C(=O)NN=Cc2ccc(cc2)OC(=O)c3ccccc3Cl
InChi [?]:
InChI=1/C22H17ClN2O4/c1-28-18-6-4-5-16(13-18)21(26)25-24-14-15-9-11-17(12-10-15)29-22(27)19-7-2-3-8-20(19)23/h2-14H,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,25,26,5,6,4,24,27,15,19,16,18,8,13,14,7,17,3,23,28,9,21,29,12,11,10,22,2,20/E:(9,10)(11,12)/rA:29nCOCCCCCCCONNCCCCCCCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;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:10.3725
Area:633.306
Solvation:-5.46012
Coulombic:-47.4834
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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