Chemical ID: 5815928

CC(CCc1ccccc1)NC(=S)Nc2cccnc2
Chemical ID:
5815928
Name [?]:
1-(1-methyl-3-phenyl-propyl)-3-(3-pyridyl)thiourea
SMILES [?]:
CC(CCc1ccccc1)NC(=S)Nc2cccnc2
InChi [?]:
InChI=1/C16H19N3S/c1-13(9-10-14-6-3-2-4-7-14)18-16(20)19-15-8-5-11-17-12-15/h2-8,11-13H,9-10H2,1H3,(H2,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,7,9,17,6,10,16,3,4,18,20,2,5,15,12,19,11,14,13/E:(3,4)(6,7)/rA:20cCCCCCCCCCCNCSNCCCCNC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19N3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:10.7424
Area:503.339
Solvation:-1.8411
Coulombic:-31.1678
Bond Count [?]
All:21
Single:14
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:285.408
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.12
LogP (Chemaxon):3.61

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Descriptor Annotations

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