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Chemical ID: 6410454
Chemical ID:
6410454
Name [?]:
N-[[2-[(3-bromophenyl)methoxy]phenyl]methyleneamino]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)NN=Cc2ccccc2OCc3cccc(c3)Br
InChi [?]:
InChI=1/C21H17BrN2O2/c22-19-11-6-7-16(13-19)15-26-20-12-5-4-10-18(20)14-23-24-21(25)17-8-2-1-3-9-17/h1-14H,15H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,15,22,21,3,5,13,23,16,25,11,19,20,4,12,24,17,7,26,10,9,8,18/E:(2,3)(8,9)/rA:26nCCCCCCCONNCCCCCCCOCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s17;s18;s19;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17BrN2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6627 |
Area: | 590.851 |
Solvation: | -4.10861 |
Coulombic: | -30.6506 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 409.276 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.42 |
LogP (Chemaxon): | 5.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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