Basic information
- Standard SMILES
CC(=O)NCCOc1cc(N2CCS(=O)(=O)c3ccccc3C2)nc2ccc(C)cc12- InChIKey
BWWVMAUDMYVZQD-UHFFFAOYSA-N- Molecular formula
- C23H25N3O4S
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 439.15657746
Names & identifiers
- Preferred name
- N-(2-{[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-yl]oxy}ethyl)acetamide
- IUPAC
- N-[2-[2-(1,1-dioxo-3,5-dihydro-2H-1lambda6,4-benzothiazepin-4-yl)-6-methylquinolin-4-yl]oxyethyl]acetamide
Names & synonyms
SCHEMBL14691921BWWVMAUDMYVZQD-UHFFFAOYSA-NN-(2-{[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-yl]oxy}ethyl)acetamide
Database identifiers
- PubChem CID
- 71255227
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 725
Related reactions
2 records
Compound notes
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