Chemical ID: 6647314

COc1ccc(cc1OC)C=NNC(=O)CNC(=O)c2ccc(cc2)Cl
Chemical ID:
6647314
Name [?]:
4-chloro-N-[(3,4-dimethoxyphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
COc1ccc(cc1OC)C=NNC(=O)CNC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C18H18ClN3O4/c1-25-15-8-3-12(9-16(15)26-2)10-21-22-17(23)11-20-18(24)13-4-6-14(19)7-5-13/h3-10H,11H2,1-2H3,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,5,21,25,22,24,4,7,11,16,6,20,23,3,8,14,18,26,17,12,13,15,19,2,9/E:(4,5)(6,7)/rA:26nCOCCCCCCOCCNNCOCNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18ClN3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.80948
Area:613.871
Solvation:-7.5373
Coulombic:-54.3043
Bond Count [?]
All:27
Single:18
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:375.806
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.35
LogP (Chemaxon):2.18

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