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Chemical ID: 4378864
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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