Chemical ID: 4417532

CCCCOc1ccc(cc1OC)C(=S)N2CCN(CC2)C
Chemical ID:
4417532
Name [?]:
(4-butoxy-3-methoxy-phenyl)-(4-methylpiperazin-1-yl)-methanethione
SMILES [?]:
CCCCOc1ccc(cc1OC)C(=S)N2CCN(CC2)C
InChi [?]:
InChI=1/C17H26N2O2S/c1-4-5-12-21-15-7-6-14(13-16(15)20-3)17(22)19-10-8-18(2)9-11-19/h6-7,13H,4-5,8-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,13,2,3,8,7,18,20,17,21,4,10,9,6,11,14,19,16,12,5,15/E:(8,9)(10,11)/rA:22nCCCCOCCCCCCOCCSNCCNCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;d14;s14;s16;s17;s18;s19;s16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H26N2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.07584
Area:546.272
Solvation:-4.58096
Coulombic:-27.4573
Bond Count [?]
All:23
Single:19
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:322.467
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.06
LogP (Chemaxon):2.43

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Descriptor Annotations

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