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Chemical ID: 6621098
Chemical ID:
6621098
Name [?]:
N-benzylideneamino-2-benzyloxy-5-bromo-benzamide
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2C(=O)NN=Cc3ccccc3)Br
InChi [?]:
InChI=1/C21H17BrN2O2/c22-18-11-12-20(26-15-17-9-5-2-6-10-17)19(13-18)21(25)24-23-14-16-7-3-1-4-8-16/h1-14H,15H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:23,1,22,24,2,6,21,25,3,5,11,10,13,19,7,20,4,12,14,9,15,26,18,17,16,8/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCCCCCCCOCCCCCCCONNCCCCCCCBr/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;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17BrN2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.26737 |
Area: | 582.534 |
Solvation: | -5.29597 |
Coulombic: | -28.3621 |
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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