Chemical ID: 6316333

Cc1cc(ccc1NC(=S)N(Cc2cccnc2)C3CCCC3)Cl
Chemical ID:
6316333
Name [?]:
3-(4-chloro-2-methyl-phenyl)-1-cyclopentyl-1-(3-pyridylmethyl)thiourea
SMILES [?]:
Cc1cc(ccc1NC(=S)N(Cc2cccnc2)C3CCCC3)Cl
InChi [?]:
InChI=1/C19H22ClN3S/c1-14-11-16(20)8-9-18(14)22-19(24)23(17-6-2-3-7-17)13-15-5-4-10-21-12-15/h4-5,8-12,17H,2-3,6-7,13H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,21,22,15,14,20,23,5,6,16,3,18,12,2,13,4,19,7,9,24,17,8,11,10/E:(2,3)(6,7)/rA:24nCCCCCCCNCSNCCCCCNCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;s19;s20;s21;s19s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22ClN3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.5735
Area:536.684
Solvation:-1.84365
Coulombic:-26.1284
Bond Count [?]
All:26
Single:19
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:359.917
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.82
LogP (Chemaxon):4.32

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