1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methyl-

Substructure search Find similar structures

Basic information

CAS: 167689-91-0
Standard SMILES: Cc1ccc2c(c1)C(=O)N(C(C)(C)C)CC(=O)N2
InChIKey: SEULDRGWTJALJK-UHFFFAOYSA-N
Molecular formula: C14H18N2O2
Average molar mass: 246.3 g/mol
Monoisotopic mass: 246.13682782

Names & identifiers

Preferred name: 1H-1,4-Benzodiazepine-2,5-dione, 4-(1,1-dimethylethyl)-3,4-dihydro-7-methyl-
IUPAC: 4-tert-butyl-7-methyl-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-methyl-167689-91-0SCHEMBL9266150DTXSID00168351SEULDRGWTJALJK-UHFFFAOYSA-N4-tert-Butyl-7-methyl-3,4-dihydro-1H-1,4- benzodiazepine-2,5-dione4-tert-butyl-3,4-dihydro-7-methyl-1H-1,4-benzodiazepine-2,5-dione4-tert-Butyl-7-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

Database identifiers

CAS: 167689-91-0
PubChem CID: 178106
DTXSID: DTXSID00168351
Nikkaji: J816.030I

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 49.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 359

Related reactions

1 records

New reaction record

HRID 1755635As reactantuspto-grants-1995_08

Compound notes

Loading…