Chemical ID: 4273165

Cc1ccc2c(c1)C(=NNC(=O)c3ccccc3Br)C(=O)N2C
Chemical ID:
4273165
Name [?]:
2-bromo-N-(1,5-dimethyl-2-oxo-indolin-3-ylidene)amino-benzamide
SMILES [?]:
Cc1ccc2c(c1)C(=NNC(=O)c3ccccc3Br)C(=O)N2C
InChi [?]:
InChI=1/C17H14BrN3O2/c1-10-7-8-14-12(9-10)15(17(23)21(14)2)19-20-16(22)11-5-3-4-6-13(11)18/h3-9H,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,23,15,16,14,17,3,4,7,2,13,6,18,5,8,11,20,19,9,10,22,12,21/rA:23nCCCCCCCCNNCOCCCCCCBrCONC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s8;d20;s5s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14BrN3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.64283
Area:507.75
Solvation:-4.05092
Coulombic:-37.4784
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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