Basic information
- Standard SMILES
O=C(Nc1cccc(CO)c1)N1CCN(c2nc(-c3ccccc3)ns2)CC1- InChIKey
XURKSVKOOTUQAS-UHFFFAOYSA-N- Molecular formula
- C20H21N5O2S
- Average molar mass
- 395.5 g/mol
- Monoisotopic mass
- 395.1415961
Names & identifiers
- Preferred name
- N-[3-(hydroxymethyl)phenyl]-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
- IUPAC
- N-[3-(hydroxymethyl)phenyl]-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
Names & synonyms
SCHEMBL3766115XURKSVKOOTUQAS-UHFFFAOYSA-NN-[3-(hydroxymethyl)phenyl]-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
Database identifiers
- PubChem CID
- 68778002
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 511
Related reactions
2 records
Compound notes
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