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Chemical ID: 5795275
Chemical ID:
5795275
Name [?]:
2-[(3-bromophenyl)methoxy]-N-[(3-chlorophenyl)methyleneamino]benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NN=Cc2cccc(c2)Cl)OCc3cccc(c3)Br
InChi [?]:
InChI=1/C21H16BrClN2O2/c22-17-7-3-6-16(11-17)14-27-20-10-2-1-9-19(20)21(26)25-24-13-15-5-4-8-18(23)12-15/h1-13H,14H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,23,14,13,22,24,15,6,3,26,17,11,20,12,21,25,16,5,4,7,27,18,10,9,8,19/rA:27nCCCCCCCONNCCCCCCCClOCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s16;s4;s19;s20;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16BrClN2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.233 |
Area: | 620.245 |
Solvation: | -5.27317 |
Coulombic: | -28.8233 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 443.721 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 7.04 |
LogP (Chemaxon): | 6.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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