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Chemical ID: 6621042
Chemical ID:
6621042
Name [?]:
5-bromo-2-ethoxy-N-[(2-hydroxyphenyl)methyleneamino]benzamide
SMILES [?]:
CCOc1ccc(cc1C(=O)NN=Cc2ccccc2O)Br
InChi [?]:
InChI=1/C16H15BrN2O3/c1-2-22-15-8-7-12(17)9-13(15)16(21)19-18-10-11-5-3-4-6-14(11)20/h3-10,20H,2H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,17,18,16,19,6,5,8,14,15,7,9,20,4,10,22,13,12,21,11,3/rA:22nCCOCCCCCCCONNCCCCCCCOBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15BrN2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.09303 |
Area: | 508.6 |
Solvation: | -5.62197 |
Coulombic: | -41.9686 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 363.206 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.72 |
LogP (Chemaxon): | 3.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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