US10150762, Example 2/16
5-[2,3-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2R)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
Molecular Identity
US10150762, Example 2/16
5-[2,3-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2R)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
PubChem CID: 121303394
2D Structure
Properties
C23H23Cl2F6N3O4S
Molecular Formula
622.40
Molecular Weight
g/mol
621.0691
Exact Mass
Da
5.3
XLogP
Above Lipinski threshold
131
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
12
H-Bond Acceptors
913
Complexity
SMILES
Canonical SMILES
SMILES: CC1CCCN1C(=O)C2=C(SC(=N2)C(=O)NCC(C)(C)O)C3=C(C(=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)Cl)ClIsomeric SMILES
SMILES: C[C@@H]1CCCN1C(=O)C2=C(SC(=N2)C(=O)NCC(C)(C)O)C3=C(C(=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)Cl)ClSynonyms(15)
JNJ-618035341917306-14-9US10150762, Example 2/165-[2,3-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2R)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide(R)-5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-(2-hydroxy-2-methylpropyl)-4-(2-methylpyrrolidine-1-carbonyl)thiazole-2-carboxamideorb1739415CHEMBL5180983SCHEMBL17711501ZQHVEGQHOKDZEN-SNVBAGLBSA-NBDBM310631GLXC-24209DA-74670MS-30795HY-139780CS-0255178
Data from PubChem (NCBI)
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