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Basic information
- Standard SMILES
Cc1ccc2c(c1)N(CC(=O)c1ccc(C)o1)C(=O)C(N)CN2C(=O)C(C)(C)C- InChIKey
HUSVZKSDNDXRJH-UHFFFAOYSA-N- Molecular formula
- C22H27N3O4
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.20015635
Names & identifiers
- Preferred name
- 1-(5-methylfuran-2-yl)carbonylmethyl-2-oxo-3-amino-5-pivaloyl-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine
- IUPAC
- 3-amino-1-(2,2-dimethylpropanoyl)-7-methyl-5-[2-(5-methylfuran-2-yl)-2-oxoethyl]-2,3-dihydro-1,5-benzodiazepin-4-one
Names & synonyms
SCHEMBL6177943HUSVZKSDNDXRJH-UHFFFAOYSA-N1-(5-methylfuran-2-yl)carbonylmethyl-2-oxo-3-amino-5-pivaloyl-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine
Database identifiers
- PubChem CID
- 21202002
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 659
Related reactions
2 records
Compound notes
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