Basic information
- CAS
956046-55-2- Standard SMILES
CCn1c(C)nc2cc(C(=O)NNC(=O)[C@@H](NC(=O)c3cc(OC)cc(OC)c3)C(C)C)ccc21- InChIKey
LBVVDVHGICULLQ-QFIPXVFZSA-N- Molecular formula
- C25H31N5O5
- Average molar mass
- 481.5 g/mol
- Monoisotopic mass
- 481.23251911
Names & identifiers
- Preferred name
- N-[(2S)-1-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
- IUPAC
- N-[(2S)-1-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
Names & synonyms
MLS002245848N-[(2S)-1-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamideCHEMBL1904154DTXSID001325356HMS3092O20AKOS034827285956046-55-2SMR001309481Z57007115N-{(2S)-1-[2-(1-Ethyl-2-methyl-1H-benzimidazole-5-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl}-3,5-dimethoxybenzamide
Database identifiers
- CAS
956046-55-2- PubChem CID
- 2088331
- DTXSID
DTXSID001325356- ChEMBL
CHEMBL1904154
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 738
Experimental & physicochemical properties
Solubility5.1 [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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