Basic information
- Standard SMILES
Cc1cc(C)cc(NC(=O)c2cncc(N3CC4CN(C(=O)OC(C)(C)C)CC4C3)c2)c1- InChIKey
WMXYOCDRQVDLBT-UHFFFAOYSA-N- Molecular formula
- C25H32N4O3
- Average molar mass
- 436.5 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 2-[5-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
- IUPAC
- tert-butyl 2-[5-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
Names & synonyms
SCHEMBL2065062
Database identifiers
- PubChem CID
- 67265709
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 669
Related reactions
1 records
Compound notes
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