6,7-Dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-ol
Basic information
- CAS
80008-55-5- Standard SMILES
OC1CSc2ccccc2-n2cccc21- InChIKey
OURJFZBVOQLNDN-UHFFFAOYSA-N- Molecular formula
- C12H11NOS
- Average molar mass
- 217.29 g/mol
- Monoisotopic mass
- 217.05613515
Names & identifiers
- Preferred name
- 6,7-Dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-ol
- IUPAC
- 6,7-dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-ol
Names & synonyms
80008-55-56,7-Dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-olNSC363826NSC 3638266,7-Dihydropyrrolo(2,1-d)(1,5)benzothiazepin-7-olNSC-3638267D97XM3RZCPyrrolo[2,1-d][1,5]benzothiazepin-7-ol, 6,7-dihydro-
Database identifiers
- CAS
80008-55-5- PubChem CID
- 338955
- UNII
- 7D97XM3RZC
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 236
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…