Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC(C(=O)c1ccc(Br)cn1)c1ccc(Cl)c(Cl)c1- InChIKey
LWXCYHOPJPGCFK-UHFFFAOYSA-N- Molecular formula
- C18H17BrCl2N2O3
- Average molar mass
- 460.1 g/mol
Names & identifiers
- Preferred name
- Rac-[2-(5-bromo-pyridin-2-yl)-1-(3,4-dichloro-phenyl)-2-oxo-ethyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dichlorophenyl)-2-oxoethyl]carbamate
Names & synonyms
SCHEMBL2836601LWXCYHOPJPGCFK-UHFFFAOYSA-Nrac-[2-(5-bromo-pyridin-2-yl)-1-(3,4-dichloro-phenyl)-2-oxo-ethyl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68409891
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 515
Related reactions
3 records
Compound notes
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