ChemDB: Chemical Search
Download
Chemical ID: 7728918
Chemical ID:
7728918
Name [?]:
None
SMILES [?]:
Cn1c2c(c(nc(n2)C3CCCC3)SCCN4CCCC4)c(=O)n(c1=O)C
InChi [?]:
InChI=1/C19H27N5O2S/c1-22-16-14(18(25)23(2)19(22)26)17(27-12-11-24-9-5-6-10-24)21-15(20-16)13-7-3-4-8-13/h13H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,11,12,19,20,10,13,18,21,16,15,9,4,7,3,5,22,25,8,6,2,24,17,23,26,14/E:(3,4)(5,6)(7,8)(9,10)/rA:27nCNCCCNCNCCCCCSCCNCCCCCONCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s9s12;s5;s14;s15;s16;s17;s18;s19;s17s20;s4;d22;s22;s2s24;d25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H27N5O2S |
All Atoms: | 54 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.2853 |
Area: | 587.614 |
Solvation: | -2.40508 |
Coulombic: | -51.4047 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.98 |
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 |
---|