ChemDB: Chemical Search
Download
Chemical ID: 5278879
Chemical ID:
5278879
Name [?]:
None
SMILES [?]:
CCCc1c2c(c3c4c(c(ncn4)N5CCCC5)sc3n1)CCC2
InChi [?]:
InChI=1/C19H22N4S/c1-2-6-14-12-7-5-8-13(12)15-16-17(24-19(15)22-14)18(21-11-20-16)23-9-3-4-10-23/h11H,2-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,17,23,3,24,22,15,18,12,5,6,4,7,8,9,10,20,13,11,21,14,19/E:(3,4)(9,10)/rA:24nCCCCCCCCCCNCNNCCCCSCNCCC/rB:s1;s2;s3;s4;d5;s6;s7;s8;d9;s10;d11;d8s12;s10;s14;s15;s16;s14s17;s9;d7s19;d4s20;s6;s22;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N4S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4216 |
Area: | 525.531 |
Solvation: | -1.71667 |
Coulombic: | -23.667 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 338.471 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.03 |
LogP (Chemaxon): | 5.16 |
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 |
---|