Chemical ID: 3968531

CCOC(=O)c1csc(n1)N2CCN(CC2)C3=Nc4ccccc4SC3
Chemical ID:
3968531
Name [?]:
ethyl 2-[4-(7-thia-10-azabicyclo[4.4.0]deca-2,4,9,11-tetraen-9-yl)piperazin-1-yl]thiazole-4-carboxylate
SMILES [?]:
CCOC(=O)c1csc(n1)N2CCN(CC2)C3=Nc4ccccc4SC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H20N4O2S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.5145
Area:596.972
Solvation:-3.40979
Coulombic:-45.9697
Bond Count [?]
All:29
Single:22
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:388.509
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.2
LogP (Chemaxon):3.98

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