Chemical ID: 6631944

C=CCc1cccc(c1O)C=NNC(=O)CNC(=O)c2ccccc2Cl
Chemical ID:
6631944
Name [?]:
N-[(3-allyl-2-hydroxy-phenyl)methyleneaminocarbamoylmethyl]-2-chloro-benzamide
SMILES [?]:
C=CCc1cccc(c1O)C=NNC(=O)CNC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C19H18ClN3O3/c1-2-6-13-7-5-8-14(18(13)25)11-22-23-17(24)12-21-19(26)15-9-3-4-10-16(15)20/h2-5,7-11,25H,1,6,12H2,(H,21,26)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,22,23,6,3,5,7,21,24,11,16,4,8,20,25,14,9,18,26,17,12,13,15,10,19/rA:26nCCCCCCCCCOCNNCOCNCOCCCCCCCl/rB:d1;s2;s3;s4;d5;s6;d7;d4s8;s9;s8;w11;s12;s13;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18ClN3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2919
Area:604.834
Solvation:-4.82897
Coulombic:-59.0706
Bond Count [?]
All:27
Single:17
Double:10
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:371.817
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:4.46
LogP (Chemaxon):3.45

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