Ethyl 4,5-dihydroimidazo(2,1-d)(1,5)benzothiazepine-2-carboxylate
Basic information
- CAS
146040-91-7- Standard SMILES
CCOC(=O)c1cn2c(n1)CCSc1ccccc1-2- InChIKey
WSHFJNOOHDRSJQ-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2S
- Average molar mass
- 274.34 g/mol
- Monoisotopic mass
- 274.07759887
Names & identifiers
- Preferred name
- Ethyl 4,5-dihydroimidazo(2,1-d)(1,5)benzothiazepine-2-carboxylate
- IUPAC
- ethyl 4,5-dihydroimidazo[2,1-d][1,5]benzothiazepine-2-carboxylate
Names & synonyms
146040-91-7Ethyl 4,5-dihydroimidazo[2,1-d][1,5]benzothiazepine-2-carboxylateEthyl 4,5-dihydroimidazo(2,1-d)(1,5)benzothiazepine-2-carboxylateRefChem:343590DTXSID301168412
Database identifiers
- CAS
146040-91-7- PubChem CID
- 15938176
- DTXSID
DTXSID301168412- Nikkaji
- J3.147.646A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
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Related reactions
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Compound notes
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