(S)-tert-butyl (4-(2-(3-cyano-4-fluorophenyl)thiazol-5-yl)-2,3-dihydro-1H-inden-1-yl)carbamate
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@H]1CCc2c(-c3cnc(-c4ccc(F)c(C#N)c4)s3)cccc21- InChIKey
XSOLWBKWPBFAHF-FQEVSTJZSA-N- Molecular formula
- C24H22FN3O2S
- Average molar mass
- 435.5 g/mol
- Monoisotopic mass
- 435.14167629
Names & identifiers
- Preferred name
- (S)-tert-butyl (4-(2-(3-cyano-4-fluorophenyl)thiazol-5-yl)-2,3-dihydro-1H-inden-1-yl)carbamate
- IUPAC
- tert-butyl N-[(1S)-4-[2-(3-cyano-4-fluorophenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamate
Names & synonyms
SCHEMBL12402567XSOLWBKWPBFAHF-FQEVSTJZSA-N(S)-tert-butyl (4-(2-(3-cyano-4-fluorophenyl)thiazol-5-yl)-2,3-dihydro-1H-inden-1-yl)carbamate(S)-tert-butyl(4-(2-(3-cyano-4-fluorophenyl)thiazol-5-yl)-2,3-dihydro-1H-inden-1-yl)carbamate
Database identifiers
- PubChem CID
- 58367229
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 705
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Related reactions
1 records
Compound notes
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