Chemical ID: 6970653

CCOc1ccccc1C=NNC(=O)c2ccc(c(c2)Br)C
Chemical ID:
6970653
Name [?]:
3-bromo-N-[(2-ethoxyphenyl)methyleneamino]-4-methyl-benzamide
SMILES [?]:
CCOc1ccccc1C=NNC(=O)c2ccc(c(c2)Br)C
InChi [?]:
InChI=1/C17H17BrN2O2/c1-3-22-16-7-5-4-6-14(16)11-19-20-17(21)13-9-8-12(2)15(18)10-13/h4-11H,3H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,7,6,8,5,17,16,20,10,18,15,9,19,4,13,21,11,12,14,3/rA:22nCCOCCCCCCCNNCOCCCCCCBrC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17BrN2O2
All Atoms:39
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.9538
Area:523.003
Solvation:-5.12127
Coulombic:-26.3402
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:361.233
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.36
LogP (Chemaxon):4.59

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