Ethyl 1-[2-[[2-(4-cyclopropylsulfonylphenyl)-2-tetrahydropyran-4-yloxy-acetyl]amino]thiazol-5-yl]pyrazole-4-carboxylate

HCID 86669554
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Basic information

Standard SMILES
CCOC(=O)c1cnn(-c2cnc(NC(=O)C(OC3CCOCC3)c3ccc(S(=O)(=O)C4CC4)cc3)s2)c1
InChIKey
QTQVCNFQGMORDV-UHFFFAOYSA-N
Molecular formula
C25H28N4O7S2
Average molar mass
560.6 g/mol
Monoisotopic mass
560.13994159

Names & identifiers

Preferred name
Ethyl 1-[2-[[2-(4-cyclopropylsulfonylphenyl)-2-tetrahydropyran-4-yloxy-acetyl]amino]thiazol-5-yl]pyrazole-4-carboxylate
IUPAC
ethyl 1-[2-[[2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)acetyl]amino]-1,3-thiazol-5-yl]pyrazole-4-carboxylate

Names & synonyms

SCHEMBL11972397QTQVCNFQGMORDV-UHFFFAOYSA-NEthyl 1-[2-[[2-(4-cyclopropylsulfonylphenyl)-2-tetrahydropyran-4-yloxy-acetyl]amino]thiazol-5-yl]pyrazole-4-carboxylate

Database identifiers

PubChem CID
86669554

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
175 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
11
Heavy atoms
38

Related reactions

1 records
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Compound notes

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