Basic information
- Standard SMILES
COc1cccc(CN(C(=O)C2=C(c3cnc(OCCOc4c(F)ccc(Cl)c4F)s3)CC3CN(C(=O)OC(C)(C)C)CC2N3C(=O)OC(C)(C)C)C2CC2)c1C- InChIKey
TWISKAHNEVGHCO-UHFFFAOYSA-N- Molecular formula
- C41H49ClF2N4O8S
- Average molar mass
- 831.4 g/mol
- Monoisotopic mass
- 830.2927697
Names & identifiers
- Preferred name
- 7-{2-[2-(3-Chloro-2,6-difluorophenoxy)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-(3-chloro-2,6-difluorophenoxy)ethoxy]-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
SCHEMBL4541874TWISKAHNEVGHCO-UHFFFAOYSA-N7-{2-[2-(3-Chloro-2,6-difluorophenoxy)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
- 69085301
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 15
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,480
Related reactions
1 records
Compound notes
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