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Chemical ID: 6407143
Chemical ID:
6407143
Name [?]:
2-(4-bromophenoxy)-N-[(4-hydroxy-3-methoxy-phenyl)methyleneamino]propanamide
SMILES [?]:
CC(C(=O)NN=Cc1ccc(c(c1)OC)O)Oc2ccc(cc2)Br
InChi [?]:
InChI=1/C17H17BrN2O4/c1-11(24-14-6-4-13(18)5-7-14)17(22)20-19-10-12-3-8-15(21)16(9-12)23-2/h3-11,21H,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,15,9,20,22,19,23,10,13,7,2,8,21,18,11,12,3,24,6,5,16,4,14,17/E:(4,5)(6,7)/rA:24cCCCONNCCCCCCCOCOOCCCCCCBr/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s2;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17BrN2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.73629 |
Area: | 566.693 |
Solvation: | -7.43104 |
Coulombic: | -49.2463 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 393.232 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.51 |
LogP (Chemaxon): | 3.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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