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Chemical ID: 4130992
Chemical ID:
4130992
Name [?]:
N-[(5-bromo-2-hydroxy-phenyl)methyleneamino]-2-[(4-chlorophenyl)methoxy]benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NN=Cc2cc(ccc2O)Br)OCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C21H16BrClN2O3/c22-16-7-10-19(26)15(11-16)12-24-25-21(27)18-3-1-2-4-20(18)28-13-14-5-8-17(23)9-6-14/h1-12,26H,13H2,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,23,27,15,24,26,16,13,11,21,22,12,14,25,5,17,4,7,19,28,10,9,18,8,20/E:(5,6)(8,9)/rA:28nCCCCCCCONNCCCCCCCOBrOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s17;s14;s4;s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16BrClN2O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.59595 |
Area: | 624.33 |
Solvation: | -6.0123 |
Coulombic: | -44.0023 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 459.72 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.63 |
LogP (Chemaxon): | 5.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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