Acetamide, N-(2-(4-bromobenzoyl)-8,9-dihydro-5,8,8-trimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-1-yl)-2,2,2-trichloro-
Basic information
- CAS
172985-38-5- Standard SMILES
Cc1nc2oc(C(=O)c3ccc(Br)cc3)c(NC(=O)C(Cl)(Cl)Cl)c2c2c1COC(C)(C)C2- InChIKey
AVHLNNFKXNVIJI-UHFFFAOYSA-N- Molecular formula
- C22H18BrCl3N2O4
- Average molar mass
- 560.6 g/mol
- Monoisotopic mass
- 557.95155
Names & identifiers
- Preferred name
- Acetamide, N-(2-(4-bromobenzoyl)-8,9-dihydro-5,8,8-trimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-1-yl)-2,2,2-trichloro-
- IUPAC
- N-[4-(4-bromobenzoyl)-8,12,12-trimethyl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-3-yl]-2,2,2-trichloroacetamide
Names & synonyms
172985-38-5Acetamide, N-(2-(4-bromobenzoyl)-8,9-dihydro-5,8,8-trimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-1-yl)-2,2,2-trichloro-DTXSID50169479RefChem:314992DTXCID6091970N-[2-(4-Bromobenzoyl)-5,8,8-trimethyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridin-1-yl]-2,2,2-trichloroacetamide
Database identifiers
- CAS
172985-38-5- PubChem CID
- 3075239
- DTXSID
DTXSID50169479
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 741
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