Chemical ID: 5573297

c1ccc(cc1)C(=NNC(=N)N)C(=S)Nc2ccc(cc2)Br
Chemical ID:
5573297
Name [?]:
N-(4-bromophenyl)-2-guanidinoimino-2-phenyl-thioacetamide
SMILES [?]:
c1ccc(cc1)C(=NNC(=N)N)C(=S)Nc2ccc(cc2)Br
InChi [?]:
InChI=1/C15H14BrN5S/c16-11-6-8-12(9-7-11)19-14(22)13(20-21-15(17)18)10-4-2-1-3-5-10/h1-9H,(H,19,22)(H4,17,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,18,20,17,21,4,19,16,7,13,10,22,11,12,15,8,9,14/E:(2,3)(4,5)(6,7)(8,9)(17,18)/rA:22nCCCCCCCNNCNNCSNCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;w10;s10;s7;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14BrN5S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.6652
Area:528.384
Solvation:-2.54443
Coulombic:-52.8099
Bond Count [?]
All:23
Single:14
Double:9
Rotors:6
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:376.275
H-Bond Donors:5
H-Bond Acceptors:5
XLogP:4.69
LogP (Chemaxon):4.75

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