Chemical ID: 4114712

c1cc(ccc1NC(=S)N2CCN(CC2)Cc3ccc4c(c3)OCO4)Cl
Chemical ID:
4114712
Name [?]:
4-(benzo[1,3]dioxol-5-ylmethyl)-N-(4-chlorophenyl)-piperazine-1-carbothioamide
SMILES [?]:
c1cc(ccc1NC(=S)N2CCN(CC2)Cc3ccc4c(c3)OCO4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H20ClN3O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.2709
Area:592.733
Solvation:-3.54737
Coulombic:-41.784
Bond Count [?]
All:29
Single:22
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:389.9
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.99
LogP (Chemaxon):4.11

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