Basic information
- Standard SMILES
CCc1ccc(NC(=O)OCC2(C(=O)NCc3cccc(F)c3C)CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)cc1- InChIKey
MMAOWJSPLJNDML-UHFFFAOYSA-N- Molecular formula
- C31H41FN4O6
- Average molar mass
- 584.7 g/mol
Names & identifiers
- Preferred name
- (1-(2-(Tert-butoxycarbonylamino)acetyl)-4-(3-fluoro-2-methylbenzylcarbamoyl)piperidin-4-yl)methyl 4-ethylphenylcarbamate
- IUPAC
- [4-[(3-fluoro-2-methylphenyl)methylcarbamoyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate
Names & synonyms
SCHEMBL4796614MMAOWJSPLJNDML-UHFFFAOYSA-N(1-(2-(tert-butoxycarbonylamino)acetyl)-4-(3-fluoro-2-methylbenzylcarbamoyl)piperidin-4-yl)methyl 4-ethylphenylcarbamate
Database identifiers
- PubChem CID
- 59778453
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 925
Related reactions
4 records
Compound notes
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