Chemical ID: 4651001

COc1ccc(cc1)C(=S)N2CCN(CC2)C(=S)c3ccc(cc3)OC
Chemical ID:
4651001
Name [?]:
(4-methoxyphenyl)-[4-(4-methoxyphenyl)carbothioylpiperazin-1-yl]-methanethione
SMILES [?]:
COc1ccc(cc1)C(=S)N2CCN(CC2)C(=S)c3ccc(cc3)OC
InChi [?]:
InChI=1/C20H22N2O2S2/c1-23-17-7-3-15(4-8-17)19(25)21-11-13-22(14-12-21)20(26)16-5-9-18(24-2)10-6-16/h3-10H,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,5,7,20,24,4,8,21,23,12,16,13,15,6,19,3,22,9,17,11,14,2,25,10,18/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)/rA:26nCOCCCCCCCSNCCNCCCSCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N2O2S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.8153
Area:595.339
Solvation:-4.06821
Coulombic:-31.1493
Bond Count [?]
All:28
Single:20
Double:8
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:386.533
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.42
LogP (Chemaxon):2.99

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Descriptor Annotations

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