Name: tert-butyl N-[3-(4-hydroxy-2,6-dimethoxyphenyl)-6-methoxypyrazolo[5,1-b][1,3]thiazol-7-yl]carbamate

SMILES: CC(C)(C)OC(=O)NC1=C2N(C(=CS2)C3=C(C=C(C=C3OC)O)OC)N=C1OC

Molecular Processing

Molecular formula

C19H23N3O6S

Molecular weight

421.48

Exact mass

421.1308

XLogP

4.14

TPSA

103.55

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

0.368

Molar refractivity

109.68

Supplementary Information

InChIKey: YOCFQDGWAZVZOY-UHFFFAOYSA-N

Synonyme

SCHEMBL11920890YOCFQDGWAZVZOY-UHFFFAOYSA-Ntert-butyl[3-(4-hydroxy-2,6-dimethoxyphenyl)-6-methoxypyrazolo[5,1-b][1,3]thiazol-7-yl]carbamate