Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide
Basic information
- CAS
80008-60-2- Standard SMILES
NC(=O)C1=Cc2cccn2-c2ccccc2S1- InChIKey
ZOZOUSKRHGOQHO-UHFFFAOYSA-N- Molecular formula
- C13H10N2OS
- Average molar mass
- 242.3 g/mol
- Monoisotopic mass
- 242.05138412
Names & identifiers
- Preferred name
- Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide
- IUPAC
- pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide
Names & synonyms
Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide80008-60-2NSC363828NSC 363828Pyrrolo(2,1-d)(1,5)benzothiazepine-6-carboxamideDTXSID90230011NSC-363828DS-012406
Database identifiers
- CAS
80008-60-2- PubChem CID
- 338957
- DTXSID
DTXSID90230011
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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