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Chemical ID: 6621127
Chemical ID:
6621127
Name [?]:
5-bromo-N-[(5-bromo-2-methoxy-phenyl)methyleneamino]-2-ethoxy-benzamide
SMILES [?]:
CCOc1ccc(cc1C(=O)NN=Cc2cc(ccc2OC)Br)Br
InChi [?]:
InChI=1/C17H16Br2N2O3/c1-3-24-16-7-5-13(19)9-14(16)17(22)21-20-10-11-8-12(18)4-6-15(11)23-2/h4-10H,3H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,2,18,6,19,5,16,8,14,15,17,7,9,20,4,10,23,24,13,12,11,21,3/rA:24nCCOCCCCCCCONNCCCCCCCOCBrBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;w13;s14;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: | 7.74549 |
Area: | 544.175 |
Solvation: | -5.85888 |
Coulombic: | -32.9025 |
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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