Nombre: 6-[2-bromoethyl(methylsulfonyl)amino]-2-(4-chlorophenyl)-5-cyclopropyl-N-methylindazole-3-carboxamide

SMILES: CNC(=O)C1=C2C=C(C(=CC2=NN1C3=CC=C(C=C3)Cl)N(CCBr)S(=O)(=O)C)C4CC4

Molecular Processing

Molecular formula

C21H22BrClN4O3S

Molecular weight

525.86

Exact mass

524.0285

XLogP

4.08

TPSA

84.3

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

0.333

Molar refractivity

127.43

Supplementary Information

InChIKey: JSXMIXMDDWPLHQ-UHFFFAOYSA-N

Sinónimos

SCHEMBL15313214JSXMIXMDDWPLHQ-UHFFFAOYSA-N6-[2-bromoethyl(methylsulfonyl)amino]-2-(4-chlorophenyl)-5-cyclopropyl-N-methyl-indazole-3-carboxamide