Basic information
- Standard SMILES
COC(=O)CC1Nc2ccc(C(=O)N(CCC3CCNCC3)CCC3CCNCC3)cc2CN(C)C1=O- InChIKey
MZENEDQELWFCEM-UHFFFAOYSA-N- Molecular formula
- C28H43N5O4
- Average molar mass
- 513.7 g/mol
Names & identifiers
- Preferred name
- Methyl (+/-)-7-[[bis[2-(4-piperidinyl)ethyl]amino]carbonyl]-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2-acetate
- IUPAC
- methyl 2-[7-[bis(2-piperidin-4-ylethyl)carbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate
Names & synonyms
MZENEDQELWFCEM-UHFFFAOYSA-NMethyl (+/-)-7-[[bis[2-(4-piperidinyl)ethyl]amino]carbonyl]-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2-acetate
Database identifiers
- PubChem CID
- 54098965
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 746
Related reactions
1 records
Compound notes
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