Chemical ID: 4364494

Cc1cc2c(c(c1)Br)NC(=O)C2=C3C(=O)NC(=S)N3
Chemical ID:
4364494
Name [?]:
7-bromo-5-methyl-3-(5-oxo-2-thioxo-imidazolidin-4-ylidene)-indolin-2-one
SMILES [?]:
Cc1cc2c(c(c1)Br)NC(=O)C2=C3C(=O)NC(=S)N3
InChi [?]:
InChI=1/C12H8BrN3O2S/c1-4-2-5-7(9-11(18)16-12(19)15-9)10(17)14-8(5)6(13)3-4/h2-3H,1H3,(H,14,17)(H2,15,16,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,7,2,4,6,12,5,13,10,14,17,8,9,19,16,11,15,18/rA:19nCCCCCCCBrNCOCCCONCSN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s4s10;w12;s13;d14;s14;s16;d17;s13s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8BrN3O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.33654
Area:443.582
Solvation:-1.75302
Coulombic:-55.0276
Bond Count [?]
All:21
Single:14
Double:7
Rotors:0
Chiral:1
Rigid Segments:1
Chemical Properties
Molecular Weight:338.181
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.07
LogP (Chemaxon):1.05

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