Chemical ID: 5815851

CC(C)N(Cc1ccccc1)C(=S)Nc2cccnc2
Chemical ID:
5815851
Name [?]:
1-benzyl-1-isopropyl-3-(3-pyridyl)thiourea
SMILES [?]:
CC(C)N(Cc1ccccc1)C(=S)Nc2cccnc2
InChi [?]:
InChI=1/C16H19N3S/c1-13(2)19(12-14-7-4-3-5-8-14)16(20)18-15-9-6-10-17-11-15/h3-11,13H,12H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,9,8,10,17,7,11,16,18,20,5,2,6,15,12,19,14,4,13/E:(1,2)(4,5)(7,8)/rA:20nCCCNCCCCCCCCSNCCCCNC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s4;d12;s12;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19N3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.8828
Area:464.334
Solvation:-1.72554
Coulombic:-26.2369
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:285.408
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.59
LogP (Chemaxon):3.55

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Descriptor Annotations

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