ChemDB: Chemical Search
Download
Chemical ID: 5267268
Chemical ID:
5267268
Name [?]:
None
SMILES [?]:
CN1CCc2c(sc3c2c(=O)n(c(n3)SCCN(C)C)c4ccccc4)C1
InChi [?]:
InChI=1/C20H24N4OS2/c1-22(2)11-12-26-20-21-18-17(15-9-10-23(3)13-16(15)27-18)19(25)24(20)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:19,20,1,24,23,25,22,26,4,3,17,16,27,21,5,6,9,8,10,13,14,18,2,12,11,15,7/E:(1,2)(5,6)(7,8)/rA:27cCNCCCCSCCCONCNSCCNCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s10;s12;s8d13;s13;s15;s16;s17;s18;s18;s12;s21;d22;s23;d24;d21s25;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N4OS2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.6119 |
Area: | 603.621 |
Solvation: | -2.47862 |
Coulombic: | -34.3487 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 400.563 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.44 |
LogP (Chemaxon): | 3.28 |
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 |
---|