Basic information
- Standard SMILES
CN1C[C@@H]2CN(c3nnc(-c4ccc(-n5ccnc5)cc4Cl)s3)C[C@@H]2C1- InChIKey
BBNCHTWBFXAHFD-BETUJISGSA-N- Molecular formula
- C18H19ClN6S
- Average molar mass
- 386.9 g/mol
Names & identifiers
- Preferred name
- 2-(2-Chloro-4-(1H-imidazol-1-yl)phenyl)-5-((3aR,6aS)-5-methylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1,3,4-thiadiazole
- IUPAC
- 2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(2-chloro-4-imidazol-1-ylphenyl)-1,3,4-thiadiazole
Names & synonyms
SCHEMBL15876768SCHEMBL30276014BBNCHTWBFXAHFD-BETUJISGSA-N2-(2-Chloro-4-(1H-imidazol-1-yl)phenyl)-5-((3aR,6aS)-5-methylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1,3,4-thiadiazole
Database identifiers
- PubChem CID
- 86727166
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 498
Related reactions
1 records
Compound notes
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