Basic information
- Standard SMILES
CCCCN1N=C(C)S/C1=C\C(=O)Cc1ccccc1Cl- InChIKey
FDXQVTIEPQNBRR-WJDWOHSUSA-N- Molecular formula
- C16H19ClN2OS
- Average molar mass
- 322.9 g/mol
- Monoisotopic mass
- 322.0906621
Names & identifiers
- Preferred name
- (1Z)-1-(3-butyl-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene)-3-(2-chlorophenyl)acetone
- IUPAC
- (1Z)-1-(3-butyl-5-methyl-1,3,4-thiadiazol-2-ylidene)-3-(2-chlorophenyl)propan-2-one
Names & synonyms
SCHEMBL5132579FDXQVTIEPQNBRR-WJDWOHSUSA-N(1Z)-1-(3-butyl-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene)-3-(2-chlorophenyl)acetone
Database identifiers
- PubChem CID
- 24955699
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 436
Related reactions
1 records
Compound notes
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