Basic information
- Standard SMILES
COc1ccc(CN(C(=O)OC(C)(C)C)c2cc(C(F)F)cc(N3CCN(C4COC4)CC3)c2Cl)cc1- InChIKey
LFOIGOCWLOECAD-UHFFFAOYSA-N- Molecular formula
- C27H34ClF2N3O4
- Average molar mass
- 538 g/mol
- Monoisotopic mass
- 537.2205906
Names & identifiers
- Preferred name
- Tert-butyl (2-chloro-5-(difluoromethyl)-3-(4-(oxetan-3-yl)piperazin-1-yl)phenyl)(4-methoxybenzyl)carbamate
- IUPAC
- tert-butyl N-[2-chloro-5-(difluoromethyl)-3-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-N-[(4-methoxyphenyl)methyl]carbamate
Names & synonyms
tert-butyl (2-chloro-5-(difluoromethyl)-3-(4-(oxetan-3-yl)piperazin-1-yl)phenyl)(4-methoxybenzyl)carbamateSCHEMBL16535504tert-butyl(2-chloro-5-(difluoromethyl)-3-(4-(oxetan-3-yl)piperazin-1-yl)phenyl)(4-methoxybenzyl)carbamate
Database identifiers
- PubChem CID
- 86708530
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 738
Related reactions
4 records
Compound notes
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