Basic information
- Standard SMILES
CO[C@@H]1CN(C(=O)[C@H](CC(C)(C)C)NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)[C@@H]2C(=O)CO[C@@H]21- InChIKey
GCETZVMHBHHNKZ-KVZCNWPJSA-N- Molecular formula
- C28H42N4O5
- Average molar mass
- 514.7 g/mol
Names & identifiers
- Preferred name
- 4-(4-isopropylpiperazin-1-yl)-N-((S)-1-((3aS,6R,6aS)-6-methoxy-3-oxodihydro-2H-furo[3,2-b]pyrrol-4(5H,6H,6aH)-yl)-4,4-dimethyl-1-oxopentan-2-yl)benzamide
- IUPAC
- N-[(2S)-1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
Names & synonyms
SCHEMBL3095463GCETZVMHBHHNKZ-KVZCNWPJSA-N4-(4-isopropylpiperazin-1-yl)-N-((S)-1-((3aS,6R,6aS)-6-methoxy-3-oxodihydro-2H-furo[3,2-b]pyrrol-4(5H,6H,6aH)-yl)-4,4-dimethyl-1-oxopentan-2-yl)benzamide
Database identifiers
- PubChem CID
- 25006891
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 827
Related reactions
1 records
Compound notes
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