Basic information
- Standard SMILES
CC(C)(C)OC(=O)COC1CCC(NC(=O)c2cc3cc(C(=N)NC(=O)OCc4ccccc4)ccc3o2)CC1- InChIKey
PTORCDQKZHRYEI-UHFFFAOYSA-N- Molecular formula
- C30H35N3O7
- Average molar mass
- 549.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl 2-[4-[[5-(N-phenylmethoxycarbonylcarbamimidoyl)-1-benzofuran-2-carbonyl]amino]cyclohexyl]oxyacetate
- IUPAC
- tert-butyl 2-[4-[[5-(N-phenylmethoxycarbonylcarbamimidoyl)-1-benzofuran-2-carbonyl]amino]cyclohexyl]oxyacetate
Names & synonyms
SCHEMBL8904935
Database identifiers
- PubChem CID
- 140381237
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 890
Related reactions
1 records
Compound notes
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