Chemical ID: 6313199

c1ccc(c(c1)CN(CCCn2ccnc2)C(=S)Nc3ccc(cc3)Cl)Cl
Chemical ID:
6313199
Name [?]:
3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea
SMILES [?]:
c1ccc(c(c1)CN(CCCn2ccnc2)C(=S)Nc3ccc(cc3)Cl)Cl
InChi [?]:
InChI=1/C20H20Cl2N4S/c21-17-6-8-18(9-7-17)24-20(27)26(12-3-11-25-13-10-23-15-25)14-16-4-1-2-5-19(16)22/h1-2,4-10,13,15H,3,11-12,14H2,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,2,10,6,3,22,24,21,25,14,11,9,13,7,16,5,23,20,4,17,26,27,15,19,12,8,18/E:(6,7)(8,9)/rA:27nCCCCCCCNCCCNCCNCCSNCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;d13;s14;s12d15;s8;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20Cl2N4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:13.0441
Area:621.792
Solvation:-2.50072
Coulombic:-32.4998
Bond Count [?]
All:29
Single:20
Double:9
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:419.371
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.62
LogP (Chemaxon):5.01

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