Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1CCSc2cc(C(=O)O)ccc21- InChIKey
HOGJFQBDINXNFT-UHFFFAOYSA-N- Molecular formula
- C15H19NO4S
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.10347926
Names & identifiers
- Preferred name
- 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-thiochromene-7-carboxylic acid
- IUPAC
- 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-thiochromene-7-carboxylic acid
Names & synonyms
SCHEMBL5956738
Database identifiers
- PubChem CID
- 22337443
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 407
Related reactions
3 records
Compound notes
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