Chemical ID: 5793910

CCOc1ccc(cc1)C=NNC(=O)CNC(=O)c2ccccc2Br
Chemical ID:
5793910
Name [?]:
2-bromo-N-[(4-ethoxyphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
CCOc1ccc(cc1)C=NNC(=O)CNC(=O)c2ccccc2Br
InChi [?]:
InChI=1/C18H18BrN3O3/c1-2-25-14-9-7-13(8-10-14)11-21-22-17(23)12-20-18(24)15-5-3-4-6-16(15)19/h3-11H,2,12H2,1H3,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,21,22,20,23,6,8,5,9,10,15,7,4,19,24,13,17,25,16,11,12,14,18,3/E:(7,8)(9,10)/rA:25nCCOCCCCCCCNNCOCNCOCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18BrN3O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.49617
Area:590.458
Solvation:-5.26529
Coulombic:-48.1415
Bond Count [?]
All:26
Single:17
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:404.258
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.3
LogP (Chemaxon):3.05

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