Chemical ID: 6970644

Cc1ccc(cc1Br)C(=O)NN=Cc2ccccc2OCc3ccccc3
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

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