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Chemical ID: 5597916
Chemical ID:
5597916
Name [?]:
N-[[2-[(3-bromophenyl)methoxy]phenyl]methyleneamino]-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)NN=Cc2ccccc2OCc3cccc(c3)Br
InChi [?]:
InChI=1/C22H19BrN2O3/c1-27-20-11-9-17(10-12-20)22(26)25-24-14-18-6-2-3-8-21(18)28-15-16-5-4-7-19(23)13-16/h2-14H,15H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,16,17,24,23,15,25,18,5,7,4,8,27,13,21,22,6,14,26,3,19,9,28,12,11,10,2,20/E:(9,10)(11,12)/rA:28nCOCCCCCCCONNCCCCCCCOCCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19BrN2O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1847 |
Area: | 625.112 |
Solvation: | -5.44314 |
Coulombic: | -36.6107 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 439.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.33 |
LogP (Chemaxon): | 5.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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