Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1CCSc2cc(C(=O)Nc3ccncc3)ccc21- InChIKey
CKPOCZSOGRQVGL-UHFFFAOYSA-N- Molecular formula
- C20H23N3O3S
- Average molar mass
- 385.5 g/mol
Names & identifiers
- Preferred name
- tert-butyl N-[7-(pyridin-4-ylcarbamoyl)-3,4-dihydro-2H-thiochromen-4-yl]carbamate
- IUPAC
- tert-butyl N-[7-(pyridin-4-ylcarbamoyl)-3,4-dihydro-2H-thiochromen-4-yl]carbamate
Names & synonyms
SCHEMBL5956678
Database identifiers
- PubChem CID
- 22337376
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 531
Related reactions
1 records
Compound notes
Loading…