Basic information
- Standard SMILES
Cc1noc(-c2ccc(-c3ccc(C4(C(=O)NS(C)(=O)=O)CC4)cc3)cc2)c1NC(=O)OC(C)(C)C- InChIKey
CHQLMFUQYXUUDK-UHFFFAOYSA-N- Molecular formula
- C26H29N3O6S
- Average molar mass
- 511.6 g/mol
Names & identifiers
- Preferred name
- {5-[4'-(1-Methanesulfonylaminocarbonyl-cyclopropyl)-biphenyl-4-yl]-3-methyl-isoxazol-4-yl}-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[3-methyl-5-[4-[4-[1-(methylsulfonylcarbamoyl)cyclopropyl]phenyl]phenyl]-1,2-oxazol-4-yl]carbamate
Names & synonyms
SCHEMBL5380CHQLMFUQYXUUDK-UHFFFAOYSA-N{5-[4'-(1-M ethanesulfonylamino carbonyl-cyclopropyl)-biphenyl-4-yl]-3-methyl-isoxazol-4-yl}-carbamic acid tert-butyl ester{5-[4'-(1-Methanesulfonylaminocarbonyl-cyclopropyl)-biphenyl-4-yl]-3-methyl-isoxazol-4-yl}-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 66577855
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 907
Related reactions
8 records
Compound notes
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