N-(3-cyano-9,14-dioxo-9,14-dihydronaphtho[2,3-b]thieno[2,3-d][1]benzoxepin-2-yl)-2,2,2-trifluoroacetamide
Basic information
- CAS
158529-58-9- Standard SMILES
N#Cc1c(NC(=O)C(F)(F)F)sc2c3c(=O)c4ccccc4c(=O)c=3oc3ccccc3c12- InChIKey
YVHLTFVHTRFJQO-UHFFFAOYSA-N- Molecular formula
- C23H9F3N2O4S
- Average molar mass
- 466.4 g/mol
- Monoisotopic mass
- 466.02351243
Names & identifiers
- Preferred name
- N-(3-cyano-9,14-dioxo-9,14-dihydronaphtho[2,3-b]thieno[2,3-d][1]benzoxepin-2-yl)-2,2,2-trifluoroacetamide
- IUPAC
- N-(5-cyano-15,22-dioxo-13-oxa-3-thiapentacyclo[12.8.0.02,6.07,12.016,21]docosa-1(14),2(6),4,7,9,11,16,18,20-nonaen-4-yl)-2,2,2-trifluoroacetamide
Names & synonyms
NSC686365NSC-686365CHEMBL1372282NCIStruc1_001670NCIStruc2_001937N-(3-cyano-9,14-dioxo-9,14-dihydronaphtho[2,3-b]thieno[2,3-d][1]benzoxepin-2-yl)-2,2,2-trifluoroacetamideBDBM50011358CCG-37510NCGC00014988NCI686365NCGC00014988-02NCGC00098088-01
Show more names
NCI60_031094N-[cyano(dioxo)[?]yl]-2,2,2-trifluoro-acetamideNaphtho[2,3-d][1]benzoxepin, 3-cyano-2-trifluoroacetamido-9,14-dihydro-9,14-dioxo-158529-58-9Acetamide,14-dihydro-9,14-dioxonaphtho[2,3-b]thieno[2,3-d][1]benzoxepin-2-yl)-2,2,2-trifluoro-N-(3-cyano-9,14-dioxobenzo[f]naphtho[2,3-b]thiopheno[2,3-d]oxepin-2-yl)-2,2,2-trifluoroacetamide
Database identifiers
- CAS
158529-58-9- PubChem CID
- 389769
- ChEMBL
CHEMBL1372282- Nikkaji
- J3.316.923J
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 1
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 970
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…