Chemical ID: 6945890

CCCCOc1ccc(cc1)C(=O)NC(=S)Nc2nnn(n2)CCC
Chemical ID:
6945890
Name [?]:
4-butoxy-N-[(2-propyltetrazol-5-yl)thiocarbamoyl]benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)NC(=S)Nc2nnn(n2)CCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H22N6O2S
All Atoms:47
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.4846
Area:613.446
Solvation:-3.85156
Coulombic:-47.7163
Bond Count [?]
All:26
Single:19
Double:7
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:362.451
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.9
LogP (Chemaxon):3.49

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