Chemical ID: 5783358

COc1ccc(c(c1)C=NNC(=O)CNC(=O)c2ccccc2Br)O
Chemical ID:
5783358
Name [?]:
2-bromo-N-[(2-hydroxy-5-methoxy-phenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
COc1ccc(c(c1)C=NNC(=O)CNC(=O)c2ccccc2Br)O
InChi [?]:
InChI=1/C17H16BrN3O4/c1-25-12-6-7-15(22)11(8-12)9-20-21-16(23)10-19-17(24)13-4-2-3-5-14(13)18/h2-9,22H,10H2,1H3,(H,19,24)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,22,4,5,8,9,14,7,3,18,23,6,12,16,24,15,10,11,25,13,17,2/rA:25nCOCCCCCCCNNCOCNCOCCCCCCBrO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16BrN3O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.38567
Area:572.037
Solvation:-5.91525
Coulombic:-63.0886
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:406.231
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:3.47
LogP (Chemaxon):2.42

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