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Chemical ID: 6410300
Chemical ID:
6410300
Name [?]:
N-[[2-[(3-bromophenyl)methoxy]phenyl]methyleneamino]-2-ethoxy-benzamide
SMILES [?]:
CCOc1ccccc1C(=O)NN=Cc2ccccc2OCc3cccc(c3)Br
InChi [?]:
InChI=1/C23H21BrN2O3/c1-2-28-22-13-6-4-11-20(22)23(27)26-25-15-18-9-3-5-12-21(18)29-16-17-8-7-10-19(24)14-17/h3-15H,2,16H2,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,17,7,18,6,25,24,16,26,8,19,5,28,14,22,23,15,27,9,20,4,10,29,13,12,11,3,21/rA:29nCCOCCCCCCCONNCCCCCCCOCCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s22;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21BrN2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.94366 |
Area: | 647.166 |
Solvation: | -6.23549 |
Coulombic: | -35.9198 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 453.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.75 |
LogP (Chemaxon): | 5.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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