Chemical ID: 4320271

COc1cc(cc(c1OC)OC)C(=O)NN=C2c3cc(ccc3NC2=O)Br
Chemical ID:
4320271
Name [?]:
N-(5-bromo-2-oxo-indolin-3-ylidene)amino-3,4,5-trimethoxy-benzamide
SMILES [?]:
COc1cc(cc(c1OC)OC)C(=O)NN=C2c3cc(ccc3NC2=O)Br
InChi [?]:
InChI=1/C18H16BrN3O5/c1-25-13-6-9(7-14(26-2)16(13)27-3)17(23)22-21-15-11-8-10(19)4-5-12(11)20-18(15)24/h4-8H,1-3H3,(H,22,23)(H,20,21,24)
InChi Info:
AuxInfo=1/1/N:1,12,10,21,22,4,6,19,5,20,18,23,3,7,17,8,13,25,27,24,16,15,14,26,2,11,9/E:(1,2)(6,7)(13,14)(25,26)/rA:27nCOCCCCCCOCOCCONNCCCCCCCNCOBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s17s24;d25;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16BrN3O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:5.36311
Area:555.638
Solvation:-8.52784
Coulombic:-60.6208
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:434.241
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.0
LogP (Chemaxon):2.67

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