N-(4,5,6,7-Tetrahydro-2,6,6-trimethyl-4-benzofuranyl)-3-(1H-tetrazol-1-yl)-2-thiophenecarboxamide
Basic information
- CAS
1208893-75-7- Standard SMILES
Cc1cc2c(o1)CC(C)(C)CC2NC(=O)c1sccc1-n1cnnn1- InChIKey
LSBZFGFSHJFGHC-UHFFFAOYSA-N- Molecular formula
- C17H19N5O2S
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.12594604
Names & identifiers
- Preferred name
- N-(4,5,6,7-Tetrahydro-2,6,6-trimethyl-4-benzofuranyl)-3-(1H-tetrazol-1-yl)-2-thiophenecarboxamide
- IUPAC
- 3-(tetrazol-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)thiophene-2-carboxamide
Names & synonyms
DTXSID901115659AKOS0343663601208893-75-7N-(4,5,6,7-Tetrahydro-2,6,6-trimethyl-4-benzofuranyl)-3-(1H-tetrazol-1-yl)-2-thiophenecarboxamideAB01006118-01Z4535910963-(1H-Tetrazol-1-yl)-N-(2,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)thiophene-2-carboxamide
Database identifiers
- CAS
1208893-75-7- PubChem CID
- 45908387
- DTXSID
DTXSID901115659
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 519
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…