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Chemical ID: 6970644
Chemical ID:
6970644
Name [?]:
N-[(2-benzyloxyphenyl)methyleneamino]-3-bromo-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1Br)C(=O)NN=Cc2ccccc2OCc3ccccc3
InChi [?]:
InChI=1/C22H19BrN2O2/c1-16-11-12-18(13-20(16)23)22(26)25-24-14-19-9-5-6-10-21(19)27-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,16,17,23,27,15,18,3,4,6,13,21,2,22,5,14,7,19,9,8,12,11,10,20/E:(3,4)(7,8)/rA:27nCCCCCCCBrCONNCCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19BrN2O2 |
All Atoms: | 46 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.12199 |
Area: | 593.421 |
Solvation: | -5.71353 |
Coulombic: | -27.9433 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 423.303 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.64 |
LogP (Chemaxon): | 6.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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