Chemical ID: 4378864

CC(C)N1CCN(CC1)Cc2ccc(cc2)SC
Chemical ID:
4378864
Name [?]:
1-isopropyl-4-[(4-methylsulfanylphenyl)methyl]piperazine
SMILES [?]:
CC(C)N1CCN(CC1)Cc2ccc(cc2)SC
InChi [?]:
InChI=1/C15H24N2S/c1-13(2)17-10-8-16(9-11-17)12-14-4-6-15(18-3)7-5-14/h4-7,13H,8-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,18,12,16,13,15,6,8,5,9,10,2,11,14,7,4,17/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:18nCCCNCCNCCCCCCCCCSC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;s10;s11;d12;s13;d14;d11s15;s14;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24N2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.98105
Area:469.026
Solvation:-1.74461
Coulombic:-11.9023
Bond Count [?]
All:19
Single:16
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:264.431
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.04
LogP (Chemaxon):3.15

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Descriptor Annotations

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