Basic information
- Standard SMILES
O=C(NC1(C(=O)NC2CCN(c3ccccc3NN3CC=CC3)CC2O)CCCCC1)c1cc2ccccc2o1- InChIKey
VJAYIKQMWYJWKF-UHFFFAOYSA-N- Molecular formula
- C31H37N5O4
- Average molar mass
- 543.7 g/mol
Names & identifiers
- Preferred name
- 4-[N-[1-[N-(benzofuran-2-ylcarbonyl)amino]cyclohexanecarbonyl]amino]-1-[2-[N-(2,5-dihydropyrrol-1-yl)amino]phenyl]piperidin-3-ol
- IUPAC
- N-[1-[[1-[2-(2,5-dihydropyrrol-1-ylamino)phenyl]-3-hydroxypiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide
Names & synonyms
SCHEMBL5111935VJAYIKQMWYJWKF-UHFFFAOYSA-N4-[N-[1-[N-(benzofuran-2-ylcarbonyl)amino]cyclohexanecarbonyl]amino]-1-[2-[N-(2,5-dihydropyrrol-1-yl)amino]phenyl]piperidin-3-ol
Database identifiers
- PubChem CID
- 69315622
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 915
Related reactions
3 records
Compound notes
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