Chemical ID: 3967438

CN1CCN(CC1)C2Cc3ccccc3Sc4c2cc(cc4)SC
Chemical ID:
3967438
Name [?]:
None
SMILES [?]:
CN1CCN(CC1)C2Cc3ccccc3Sc4c2cc(cc4)SC
InChi [?]:
InChI=1/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,12,13,11,14,21,22,3,7,4,6,9,19,10,20,18,8,15,17,2,5,23,16/E:(9,10)(11,12)/rA:24cCNCCNCCCCCCCCCCSCCCCCCSC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s8s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24N2S2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:11.603
Area:537.787
Solvation:-1.84168
Coulombic:-13.7117
Bond Count [?]
All:27
Single:21
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:356.55
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.3
LogP (Chemaxon):4.95

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Descriptor Annotations

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