Basic information
- CAS
1171709-61-7- Standard SMILES
COc1ccc(Cn2nccc2NC(=O)C2COc3ccccc3O2)cc1- InChIKey
APUSYYSZKQUHEH-UHFFFAOYSA-N- Molecular formula
- C20H19N3O4
- Average molar mass
- 365.4 g/mol
Names & identifiers
- Preferred name
- N-[1-(4-methoxybenzyl)-1H-pyrazol-5-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
- IUPAC
- N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
- English name
- N-[1-(4-methoxybenzyl)-1H-pyrazol-5-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
- Molecular formula
- C20H19N3O4
- Molecular weight
- 365.38
Names & synonyms
1171709-61-7N-[1-(4-methoxybenzyl)-1H-pyrazol-5-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamideSTK645894AKOS005576798N-(1-(4-methoxybenzyl)-1H-pyrazol-5-yl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamideN-{1-[(4-METHOXYPHENYL)METHYL]-1H-PYRAZOL-5-YL}-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXAMIDE1,4-Benzodioxin-2-carboxamide, 2,3-dihydro-N-[1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl]-
Database identifiers
- CAS
1171709-61-7
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 498
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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