C1CN(CCC1C2=NC(=CS2)C3=NOC(C3)C4=C(C=CC=C4Cl)O)C(=O)CN5C(=CC(=N5)C(F)F)C(F)F
名称: 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[4-[5-(2-chloro-6-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
SMILES: C1CN(CCC1C2=NC(=CS2)C3=NOC(C3)C4=C(C=CC=C4Cl)O)C(=O)CN5C(=CC(=N5)C(F)F)C(F)F

Molecular Processing

Molecular formula
C24H22ClF4N5O3S
Molecular weight
571.98
Exact mass
571.1068
XLogP
5.85
TPSA
92.84
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
130.91

Supplementary Information

InChIKey: GULFRSLQGNFNOV-UHFFFAOYSA-N
同義語
2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]-1-(4-{4-[5-(2-chloro-6-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)ethanoneSCHEMBL1998670
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