Название: 2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-6-iodo-8-methyl-3,1-benzoxazin-4-one

SMILES: CC1=CC(=CC2=C1N=C(OC2=O)C3=CC(=NN3C4=C(C=CC=N4)Cl)C(F)(F)F)I

Molecular Processing

Molecular formula

C18H9ClF3IN4O2

Molecular weight

532.65

Exact mass

531.9411

XLogP

5.02

TPSA

73.81

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.111

Molar refractivity

108.1

Supplementary Information

InChIKey: RXOZPTQJCYSMRL-UHFFFAOYSA-N

Синонимы

2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-6-iodo-8-methyl-4H-3,1-benzoxazin-4-oneSCHEMBL950989