Basic information
- Standard SMILES
COc1cccc(CN(C(=O)C2=C(c3cnc(OCCOc4nn(C)c(C(F)(F)F)c4Cl)s3)CC3CN(C(=O)OC(C)(C)C)CC2N3C(=O)OC(C)(C)C)C2CC2)c1C- InChIKey
KZSVSUSLCXLTOE-UHFFFAOYSA-N- Molecular formula
- C40H50ClF3N6O8S
- Average molar mass
- 867.4 g/mol
Names & identifiers
- Preferred name
- 7-{2-[2-(4-Chloro-1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-ethoxy]thiazol-5-yl}-6-[cyclopropyl-(3-methoxy-2-methylbenzyl)carbamoyl]-3,9-diazabicyclo[3.3.1]non-6-ene-3,9-dicarboxylic acid di-tert-butyl ester
- IUPAC
- ditert-butyl 7-[2-[2-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethoxy]-1,3-thiazol-5-yl]-6-[cyclopropyl-[(3-methoxy-2-methylphenyl)methyl]carbamoyl]-3,9-diazabicyclo[3.3.1]non-6-ene-3,9-dicarboxylate
Names & synonyms
KZSVSUSLCXLTOE-UHFFFAOYSA-N7-{2-[2-(4-Chloro-1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-ethoxy]thiazol-5-yl}-6-[cyclopropyl-(3-methoxy-2-methylbenzyl)carbamoyl]-3,9-diazabicyclo[3.3.1]non-6-ene-3,9-dicarboxylic acid di-tert-butyl ester
Database identifiers
- PubChem CID
- 77516352
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 15
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,560
Related reactions
1 records
Compound notes
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