Chemical ID: 6182197

COc1ccc(cc1)C=NNC(=O)CNC(=O)c2cc(ccc2Cl)Cl
Chemical ID:
6182197
Name [?]:
2,5-dichloro-N-[(4-methoxyphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
COc1ccc(cc1)C=NNC(=O)CNC(=O)c2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C17H15Cl2N3O3/c1-25-13-5-2-11(3-6-13)9-21-22-16(23)10-20-17(24)14-8-12(18)4-7-15(14)19/h2-9H,10H2,1H3,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,7,21,4,8,22,19,9,14,6,20,3,18,23,12,16,25,24,15,10,11,13,17,2/E:(2,3)(5,6)/rA:25nCOCCCCCCCNNCOCNCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15Cl2N3O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.37445
Area:598.118
Solvation:-5.5785
Coulombic:-47.5428
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:380.225
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.33
LogP (Chemaxon):2.95

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