3-[4-(Azetidin-1-ylcarbonyl)phenoxy]-5-[(1S)-2-hydroxy-1-methylethoxy]-N-(1-isopropyl-1H-pyrazol-3-yl)benzamide

HCID 11634336
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Basic information

CAS
871656-91-6
Standard SMILES
CC(C)n1ccc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)cc3)cc(O[C@@H](C)CO)c2)n1
InChIKey
UJTLHVRWGHIMKC-SFHVURJKSA-N
Molecular formula
C26H30N4O5
Average molar mass
478.5 g/mol
Monoisotopic mass
478.22162007

Names & identifiers

Preferred name
3-[4-(Azetidin-1-ylcarbonyl)phenoxy]-5-[(1S)-2-hydroxy-1-methylethoxy]-N-(1-isopropyl-1H-pyrazol-3-yl)benzamide
IUPAC
3-[4-(azetidine-1-carbonyl)phenoxy]-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(1-propan-2-ylpyrazol-3-yl)benzamide

Names & synonyms

SCHEMBL2659701CHEMBL3219106UJTLHVRWGHIMKC-SFHVURJKSA-NDTXSID8011063963-[4-(Azetidin-1-ylcarbonyl)phenoxy]-5-[(1S)-2-hydroxy-1-methylethoxy]-N-(1-isopropyl-1H-pyrazol-3-yl)benzamide871656-91-63-[4-(1-Azetidinylcarbonyl)phenoxy]-5-[(1S)-2-hydroxy-1-methylethoxy]-N-[1-(1-methylethyl)-1H-pyrazol-3-yl]benzamide

Database identifiers

CAS
871656-91-6
PubChem CID
11634336
DTXSID
DTXSID801106396
ChEMBL
CHEMBL3219106

Properties

Computed structural propertiesFilling in

XLogP
2.9
Topological polar surface area
106 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
35

Related reactions

1 records
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Compound notes

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