Chemical ID: 3843478

Cn1c(nnc1SCC(=O)Nc2c(c3c(s2)CCCC3)C#N)c4ccc(cc4)O
Chemical ID:
3843478
Name [?]:
N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
Cn1c(nnc1SCC(=O)Nc2c(c3c(s2)CCCC3)C#N)c4ccc(cc4)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H19N5O2S2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.8896
Area:646.028
Solvation:-4.26112
Coulombic:-51.6551
Bond Count [?]
All:32
Single:23
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:425.529
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.0
LogP (Chemaxon):3.25

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