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Chemical ID: 3967438
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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