Basic information
- Standard SMILES
Cc1nnc2n1-c1sc(CCC(=O)N3CCCCC3)cc1C(c1ccccc1Cl)=NC2C- InChIKey
RDDDQGWHZGOXQM-UHFFFAOYSA-N- Molecular formula
- C24H26ClN5OS
- Average molar mass
- 468 g/mol
- Monoisotopic mass
- 467.1546593
Names & identifiers
- Preferred name
- 3-[4-(2-chlorophenyl)-6,9-dimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]propionic acid piperidide
- IUPAC
- 3-[7-(2-chlorophenyl)-9,13-dimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-piperidin-1-ylpropan-1-one
Names & synonyms
SCHEMBL9040603RDDDQGWHZGOXQM-UHFFFAOYSA-N3-[4-(2-chlorophenyl)-6,9-dimethyl-6H-thieno[3,2-f][1,2,4 ]triazolo[4,3-a][1,4]diazepin-2-yl]propionic acid piperidide
Database identifiers
- PubChem CID
- 15106961
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 717
Related reactions
1 records
Compound notes
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