Chemical ID: 6636991

Cc1cccc(c1)C(=O)NN=C2c3cc(ccc3N(C2=O)C)Br
Chemical ID:
6636991
Name [?]:
N-(5-bromo-1-methyl-2-oxo-indolin-3-ylidene)amino-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)NN=C2c3cc(ccc3N(C2=O)C)Br
InChi [?]:
InChI=1/C17H14BrN3O2/c1-10-4-3-5-11(8-10)16(22)20-19-15-13-9-12(18)6-7-14(13)21(2)17(15)23/h3-9H,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,22,4,3,5,16,17,7,14,2,6,15,13,18,12,8,20,23,11,10,19,9,21/rA:23nCCCCCCCCONNCCCCCCCNCOCBr/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s18;s12s19;d20;s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14BrN3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.128
Area:517.333
Solvation:-3.80531
Coulombic:-37.7365
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:372.216
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.24
LogP (Chemaxon):3.66

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