Chemical ID: 3934158

CC(=O)c1cccc(c1)NC(=O)CSc2nnc(n2C)C3CC3
Chemical ID:
3934158
Name [?]:
N-(3-acetylphenyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES [?]:
CC(=O)c1cccc(c1)NC(=O)CSc2nnc(n2C)C3CC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H18N4O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.67455
Area:554.63
Solvation:-4.1912
Coulombic:-38.1528
Bond Count [?]
All:25
Single:18
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:330.406
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.86
LogP (Chemaxon):1.28

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