Chemical ID: 4230350

c1cc(c(cc1Cl)Cl)NC(=S)NCCCn2ccnc2
Chemical ID:
4230350
Name [?]:
1-(2,4-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)thiourea
SMILES [?]:
c1cc(c(cc1Cl)Cl)NC(=S)NCCCn2ccnc2
InChi [?]:
InChI=1/C13H14Cl2N4S/c14-10-2-3-12(11(15)8-10)18-13(20)17-4-1-6-19-7-5-16-9-19/h2-3,5,7-9H,1,4,6H2,(H2,17,18,20)
InChi Info:
AuxInfo=1/1/N:14,1,2,13,18,15,17,5,20,6,4,3,10,7,8,19,12,9,16,11/rA:20nCCCCCCClClNCSNCCCNCCNC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;s16d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14Cl2N4S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:11.1946
Area:537.691
Solvation:-2.24769
Coulombic:-35.4338
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:329.249
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.35
LogP (Chemaxon):2.34

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