Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC2CC(c3nc(CCCOc4c(F)cccc4F)cs3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)C(C1)N2C(=O)OC(C)(C)C- InChIKey
CFKFIEXUWUEOGA-UHFFFAOYSA-N- Molecular formula
- C40H46Cl2F2N4O6S
- Average molar mass
- 819.8 g/mol
Names & identifiers
- Preferred name
- 6-[Cyclopropyl-(2,3-dichlorobenzyl)carbamoyl]-7-{4-[3-(2,6-difluorophenoxy)propyl]thiazol-2-yl}-3,9-diazabicyclo[3.3.1]non-6-ene-3,9-dicarboxylic acid di-tert-butyl ester
- IUPAC
- ditert-butyl 6-[cyclopropyl-[(2,3-dichlorophenyl)methyl]carbamoyl]-7-[4-[3-(2,6-difluorophenoxy)propyl]-1,3-thiazol-2-yl]-3,9-diazabicyclo[3.3.1]non-6-ene-3,9-dicarboxylate
Names & synonyms
SCHEMBL3259150CFKFIEXUWUEOGA-UHFFFAOYSA-N6-[Cyclopropyl-(2,3-dichlorobenzyl)carbamoyl]-7-{4-[3-(2,6-difluorophenoxy)propyl]thiazol-2-yl}-3,9-diazabicyclo[3.3.1]non-6-ene-3,9-dicarboxylic acid di-tert-butyl ester
Database identifiers
- PubChem CID
- 68570964
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,420
Related reactions
1 records
Compound notes
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