Chemical ID: 6621555

C=CCc1cccc(c1O)C=NNC(=O)C(=O)Nc2ccc(cc2)Br
Chemical ID:
6621555
Name [?]:
N-[(3-allyl-2-hydroxy-phenyl)methyleneamino]-N'-(4-bromophenyl)-oxamide
SMILES [?]:
C=CCc1cccc(c1O)C=NNC(=O)C(=O)Nc2ccc(cc2)Br
InChi [?]:
InChI=1/C18H16BrN3O3/c1-2-4-12-5-3-6-13(16(12)23)11-20-22-18(25)17(24)21-15-9-7-14(19)8-10-15/h2-3,5-11,23H,1,4H2,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,21,23,20,24,11,4,8,22,19,9,16,14,25,12,18,13,10,17,15/E:(7,8)(9,10)/rA:25nCCCCCCCCCOCNNCOCONCCCCCCBr/rB:d1;s2;s3;s4;d5;s6;d7;d4s8;s9;s8;w11;s12;s13;d14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16BrN3O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.0463
Area:578.755
Solvation:-3.42257
Coulombic:-62.7065
Bond Count [?]
All:26
Single:16
Double:10
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:402.242
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:4.5
LogP (Chemaxon):4.53

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