ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate
Basic information
- CAS
853352-29-1- Standard SMILES
CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)C1CCN(C(=O)c2ccccc2C)CC1- InChIKey
ASGZJLNKGDDGCY-UHFFFAOYSA-N- Molecular formula
- C27H30N4O4
- Average molar mass
- 474.6 g/mol
- Monoisotopic mass
- 474.22670545
Names & identifiers
- Preferred name
- ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate
- IUPAC
- ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate
Names & synonyms
ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylateEthyl 2-methyl-4-{[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino}-1H-1,5-benzodiazepine-3-carboxylateMLS002245494CHEMBL1728245DTXSID301328509HMS3081M08AKOS034080801853352-29-1SMR001309146Z29251181
Database identifiers
- CAS
853352-29-1- PubChem CID
- 4847722
- DTXSID
DTXSID301328509- ChEMBL
CHEMBL1728245
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 874
Experimental & physicochemical properties
Solubility35.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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