Chemical ID: 5590288

COc1ccc(cc1OC)C=NNC(=O)c2ccccc2NC(=O)c3ccc(cc3)Cl
Chemical ID:
5590288
Name [?]:
2-(4-chlorobenzoyl)amino-N-[(3,4-dimethoxyphenyl)methyleneamino]benzamide
SMILES [?]:
COc1ccc(cc1OC)C=NNC(=O)c2ccccc2NC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H20ClN3O4/c1-30-20-12-7-15(13-21(20)31-2)14-25-27-23(29)18-5-3-4-6-19(18)26-22(28)16-8-10-17(24)11-9-16/h3-14H,1-2H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,10,18,19,17,20,5,26,30,27,29,4,7,11,6,25,28,16,21,3,8,23,14,31,12,22,13,24,15,2,9/E:(8,9)(10,11)/rA:31nCOCCCCCCOCCNNCOCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s22;d23;s23;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H20ClN3O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:9.5253
Area:663.752
Solvation:-7.06849
Coulombic:-56.3166
Bond Count [?]
All:33
Single:21
Double:12
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:437.875
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:5.58
LogP (Chemaxon):4.96

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