Chemical ID: 3947821

c1ccc(cc1)CN2CCC(CC2)c3nc4ccccc4s3
Chemical ID:
3947821
Name [?]:
2-(1-benzyl-4-piperidyl)benzothiazole
SMILES [?]:
c1ccc(cc1)CN2CCC(CC2)c3nc4ccccc4s3
InChi [?]:
InChI=1/C19H20N2S/c1-2-6-15(7-3-1)14-21-12-10-16(11-13-21)19-20-17-8-4-5-9-18(17)22-19/h1-9,16H,10-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,18,19,3,5,17,20,10,12,9,13,7,4,11,16,21,14,15,8,22/E:(2,3)(6,7)(10,11)(12,13)/rA:22nCCCCCCCNCCCCCCNCCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;d14;s15;s16;d17;s18;d19;d16s20;s14s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.9621
Area:513.164
Solvation:-1.86698
Coulombic:-13.5899
Bond Count [?]
All:25
Single:18
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:308.442
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.56
LogP (Chemaxon):4.61

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Descriptor Annotations

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