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Chemical ID: 6621254
Chemical ID:
6621254
Name [?]:
2-benzyloxy-5-bromo-N-[(2-hydroxyphenyl)methyleneamino]benzamide
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2C(=O)NN=Cc3ccccc3O)Br
InChi [?]:
InChI=1/C21H17BrN2O3/c22-17-10-11-20(27-14-15-6-2-1-3-7-15)18(12-17)21(26)24-23-13-16-8-4-5-9-19(16)25/h1-13,25H,14H2,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,23,3,5,21,24,11,10,13,19,7,4,20,12,14,25,9,15,27,18,17,26,16,8/E:(2,3)(6,7)/rA:27nCCCCCCCOCCCCCCCONNCCCCCCCOBr/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s25;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17BrN2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.71196 |
Area: | 593.759 |
Solvation: | -6.13201 |
Coulombic: | -43.6624 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 425.275 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.01 |
LogP (Chemaxon): | 5.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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