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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(Cl)cc2)[C@H](c2ccc(Cl)c(Cl)c2)C1- InChIKey
CMIRXPMRXAUYHP-QFBILLFUSA-N- Molecular formula
- C22H23Cl3N2O3
- Average molar mass
- 469.8 g/mol
- Monoisotopic mass
- 468.077426
Names & identifiers
- Preferred name
- tert-butyl (3S,4R)-3-{[(4-chlorophenyl)carbonyl]amino}-4-(3,4-dichlorophenyl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (3S,4R)-3-[(4-chlorobenzoyl)amino]-4-(3,4-dichlorophenyl)pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL13801652CMIRXPMRXAUYHP-QFBILLFUSA-Ntert-butyl (3S,4R)-3-{[(4-chlorophenyl)carbonyl]amino}-4-(3,4-dichlorophenyl)pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 57741764
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 619
Related reactions
1 records
Compound notes
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