ChemDB: Chemical Search
Download
Chemical ID: 7658281
Chemical ID:
7658281
Name [?]:
None
SMILES [?]:
Cn1cc(cn1)S(=O)(=O)N2CCN(CC2)Cc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C15H18Cl2N4O2S/c1-19-11-14(9-18-19)24(22,23)21-6-4-20(5-7-21)10-12-2-3-13(16)8-15(12)17/h2-3,8-9,11H,4-7,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,12,14,11,15,21,5,16,3,17,20,4,22,24,23,6,2,13,10,8,9,7/E:(4,5)(6,7)(22,23)/CRV:24.6/rA:24nCNCCCNSOONCCNCCCCCCCCCClCl/rB:s1;s2;d3;s4;s2d5;s4;d7;d7;s7;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18Cl2N4O2S |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.036 |
Area: | 570.982 |
Solvation: | -3.23854 |
Coulombic: | -16.9211 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.2 |
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 |
---|