Basic information
- Standard SMILES
Cc1cc2c(cc1C(=O)Nc1ccncc1)SCCC2NC(=O)OC(C)(C)C- InChIKey
GLVYGUIAIOLJOM-UHFFFAOYSA-N- Molecular formula
- C21H25N3O3S
- Average molar mass
- 399.5 g/mol
Names & identifiers
- Preferred name
- 4-(tert-butoxycarbonylamino)-6-methyl-N-(4-pyridyl)thiochromane-7-carboxamide
- IUPAC
- tert-butyl N-[6-methyl-7-(pyridin-4-ylcarbamoyl)-3,4-dihydro-2H-thiochromen-4-yl]carbamate
Names & synonyms
SCHEMBL5956614GLVYGUIAIOLJOM-UHFFFAOYSA-N4-(tert-butoxycarbonylamino)-6-methyl-N-(4-pyridyl)thiochromane-7-carboxamide
Database identifiers
- PubChem CID
- 22337377
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 560
Related reactions
2 records
Compound notes
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