Basic information
- Standard SMILES
Nc1nc(-c2cc3c(s2)-c2ccc(C(=O)NCCO)cc2OCC3)n(-c2ccc(F)cc2F)n1- InChIKey
NTTQRVWJMFCSRH-UHFFFAOYSA-N- Molecular formula
- C23H19F2N5O3S
- Average molar mass
- 483.5 g/mol
- Monoisotopic mass
- 483.11766698
Names & identifiers
- Preferred name
- 2-(3-amino-1-(2,4-difluorophenyl)-1H-1,2,4-triazol-5-yl)-N-(2-hydroxyethyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-8-carboxamide
- IUPAC
- 2-[5-amino-2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]-N-(2-hydroxyethyl)-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide
Names & synonyms
SCHEMBL1516810NTTQRVWJMFCSRH-UHFFFAOYSA-N2-(3-amino-1-(2,4-difluorophenyl)-1H-1,2,4-triazol-5-yl)-N-(2-hydroxyethyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-8-carboxamide
Database identifiers
- PubChem CID
- 58204151
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 726
Related reactions
5 records
Compound notes
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