ChemDB: Chemical Search
Download
Chemical ID: 7668778
Chemical ID:
7668778
Name [?]:
None
SMILES [?]:
Cc1cc(c2c(c1)nc(s2)N3CCN(CC3)c4nc5cc(cc(c5s4)C)C)C
InChi [?]:
InChI=1/C22H24N4S2/c1-13-9-15(3)19-17(11-13)23-21(27-19)25-5-7-26(8-6-25)22-24-18-12-14(2)10-16(4)20(18)28-22/h9-12H,5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,28,26,12,16,13,15,3,22,7,20,2,21,4,23,6,19,5,24,9,17,8,18,11,14,10,25/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)(27,28)/rA:28nCCCCCCCNCSNCCNCCCNCCCCCCSCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;s11;s12;s13;s14;s11s15;s14;d17;s18;s19;d20;s21;d22;d19s23;s17s24;s23;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N4S2 |
All Atoms: | 52 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.5781 |
Area: | 619.619 |
Solvation: | -1.91243 |
Coulombic: | -28.4899 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.19 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|