Chemical ID: 4518332

COc1cc(cc(c1OC)OC)C=NNC(=O)CNC(=O)c2ccccc2Br
Chemical ID:
4518332
Name [?]:
2-bromo-N-[(3,4,5-trimethoxyphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
COc1cc(cc(c1OC)OC)C=NNC(=O)CNC(=O)c2ccccc2Br
InChi [?]:
InChI=1/C19H20BrN3O5/c1-26-15-8-12(9-16(27-2)18(15)28-3)10-22-23-17(24)11-21-19(25)13-6-4-5-7-14(13)20/h4-10H,11H2,1-3H3,(H,21,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,12,10,24,25,23,26,4,6,13,18,5,22,27,3,7,16,8,20,28,19,14,15,17,21,2,11,9/E:(1,2)(8,9)(15,16)(26,27)/rA:28nCOCCCCCCOCOCCNNCOCNCOCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;w13;s14;s15;d16;s16;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20BrN3O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:6.75599
Area:616.912
Solvation:-8.6668
Coulombic:-60.8137
Bond Count [?]
All:29
Single:20
Double:9
Rotors:10
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:450.283
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.31
LogP (Chemaxon):2.2

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