Basic information
- Standard SMILES
Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3CC(C)C[C@@H]3[C@H]2CNC(=O)c2cc(C)ccn2)c1- InChIKey
QSHQYWISMNDDBF-KOLHQMHQSA-N- Molecular formula
- C28H32N4O2S
- Average molar mass
- 488.6 g/mol
Names & identifiers
- Preferred name
- 4-Methyl-pyridine-2-carboxylic acid-(1S,2S,5R)-[7-methyl-3-(2-methyl-5-m-tolyl-thiazole-4-carbonyl)-3-aza-bicyclo[3.3.0]oct-2-ylmethyl]-amide
- IUPAC
- N-[[(3S,3aS,6aR)-5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]-4-methylpyridine-2-carboxamide
Names & synonyms
SCHEMBL496178QSHQYWISMNDDBF-KOLHQMHQSA-N4-Methyl-pyridine-2-carboxylic acid-(1S,2S,5R)-[7-methyl-3-(2-methyl-5-m-tolyl-thiazole-4-carbonyl)-3-aza-bicyclo[3.3.0]oct-2-ylmethyl]-amide
Database identifiers
- PubChem CID
- 25154264
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 780
Related reactions
1 records
Compound notes
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