Chemical ID: 3897866

CCS(=O)(=O)N1CCN(CC1)c2c3c(c(sc3nc(n2)C)C)C
Chemical ID:
3897866
Name [?]:
2-(4-ethylsulfonylpiperazin-1-yl)-4,8,9-trimethyl-7-thia-3,5-diazabicyclo[4.3.0]nona-2,4,8,10-tetraene
SMILES [?]:
CCS(=O)(=O)N1CCN(CC1)c2c3c(c(sc3nc(n2)C)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H22N4O2S2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.3882
Area:532.675
Solvation:-2.92864
Coulombic:-22.6585
Bond Count [?]
All:25
Single:19
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:354.493
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.43
LogP (Chemaxon):2.97

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue