Chemical ID: 4480373

CCOc1ccc(cc1)C(=S)N2CCN(CC2)CCO
Chemical ID:
4480373
Name [?]:
(4-ethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]-methanethione
SMILES [?]:
CCOc1ccc(cc1)C(=S)N2CCN(CC2)CCO
InChi [?]:
InChI=1/C15H22N2O2S/c1-2-19-14-5-3-13(4-6-14)15(20)17-9-7-16(8-10-17)11-12-18/h3-6,18H,2,7-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,8,5,9,14,16,13,17,18,19,7,4,10,15,12,20,3,11/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCCOCCCCCCCSNCCNCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22N2O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.13844
Area:498.68
Solvation:-4.32855
Coulombic:-36.1762
Bond Count [?]
All:21
Single:17
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:294.413
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.77
LogP (Chemaxon):1.37

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