1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methoxy-
Basic information
- CAS
167689-92-1- Standard SMILES
COc1ccc2c(c1)C(=O)N(C(C)(C)C)CC(=O)N2- InChIKey
PGELZZRCBDJCSO-UHFFFAOYSA-N- Molecular formula
- C14H18N2O3
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.13174244
Names & identifiers
- Preferred name
- 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methoxy-
- IUPAC
- 4-tert-butyl-7-methoxy-1,3-dihydro-1,4-benzodiazepine-2,5-dione
Names & synonyms
1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methoxy-167689-92-14-tert-butyl-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dioneDTXSID60168352
Database identifiers
- CAS
167689-92-1- PubChem CID
- 178107
- DTXSID
DTXSID60168352- Nikkaji
- J816.032E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 375
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Compound notes
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