Chemical ID: 5815146

CCN(Cc1ccncc1)C(=S)NCCc2ccccc2
Chemical ID:
5815146
Name [?]:
1-ethyl-3-phenethyl-1-(4-pyridylmethyl)thiourea
SMILES [?]:
CCN(Cc1ccncc1)C(=S)NCCc2ccccc2
InChi [?]:
InChI=1/C17H21N3S/c1-2-20(14-16-8-11-18-12-9-16)17(21)19-13-10-15-6-4-3-5-7-15/h3-9,11-12H,2,10,13-14H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,20,17,21,6,10,15,7,9,14,4,16,5,11,8,13,3,12/E:(4,5)(6,7)(8,9)(11,12)/rA:21nCCNCCCCNCCCSNCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;s13;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21N3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.9523
Area:524.567
Solvation:-2.16182
Coulombic:-26.3976
Bond Count [?]
All:22
Single:15
Double:7
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:299.435
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.44
LogP (Chemaxon):3.01

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Descriptor Annotations

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