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Chemical ID: 6621263
Chemical ID:
6621263
Name [?]:
5-bromo-N-[(5-bromo-2-ethoxy-phenyl)methyleneamino]-2-methoxy-benzamide
SMILES [?]:
CCOc1ccc(cc1C=NNC(=O)c2cc(ccc2OC)Br)Br
InChi [?]:
InChI=1/C17H16Br2N2O3/c1-3-24-15-6-4-12(18)8-11(15)10-20-21-17(22)14-9-13(19)5-7-16(14)23-2/h4-10H,3H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,2,6,18,5,19,8,16,10,9,7,17,15,4,20,13,24,23,11,12,14,21,3/rA:24nCCOCCCCCCCNNCOCCCCCCOCBrBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;s17;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16Br2N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.04273 |
Area: | 555.817 |
Solvation: | -5.85269 |
Coulombic: | -33.0873 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 456.129 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.84 |
LogP (Chemaxon): | 4.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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