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Chemical ID: 6621055
Chemical ID:
6621055
Name [?]:
5-bromo-N-[(5-bromo-2-hydroxy-phenyl)methyleneamino]-2-ethoxy-benzamide
SMILES [?]:
CCOc1ccc(cc1C(=O)NN=Cc2cc(ccc2O)Br)Br
InChi [?]:
InChI=1/C16H14Br2N2O3/c1-2-23-15-6-4-12(18)8-13(15)16(22)20-19-9-10-7-11(17)3-5-14(10)21/h3-9,21H,2H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,18,6,19,5,16,8,14,15,17,7,9,20,4,10,22,23,13,12,21,11,3/rA:23nCCOCCCCCCCONNCCCCCCCOBrBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s20;s17;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14Br2N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.46989 |
Area: | 521.932 |
Solvation: | -5.57841 |
Coulombic: | -41.4331 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 442.102 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.52 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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