Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(CC1CC1)[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(-c3ccccc3Cl)cc2)cc1- InChIKey
GSDJTDXXIIMPTL-XTEPFMGCSA-N- Molecular formula
- C31H33ClN2O3
- Average molar mass
- 517.1 g/mol
- Monoisotopic mass
- 516.2179706
Names & identifiers
- Preferred name
- tert-Butyl [trans-2-(4-{[(2'-chlorobiphenyl-4-yl)carbonyl]amino}phenyl)cyclopropyl](cyclopropylmethyl)-carbamate
- IUPAC
- tert-butyl N-[(1R,2S)-2-[4-[[4-(2-chlorophenyl)benzoyl]amino]phenyl]cyclopropyl]-N-(cyclopropylmethyl)carbamate
Names & synonyms
GSDJTDXXIIMPTL-XTEPFMGCSA-Ntert-Butyl [trans-2-(4-{[(2'-chlorobiphenyl-4-yl)carbonyl]amino}phenyl)cyclopropyl](cyclopropylmethyl)-carbamate
Database identifiers
- PubChem CID
- 86729906
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 793
Related reactions
1 records
Compound notes
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