Nombre: ethyl 2-[[2-[[cyclobutyl(cycloheptyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetate

SMILES: CCOC(=O)CSC1=CN=C(S1)NC(=O)N(C2CCCCCC2)C3CCC3

Molecular Processing

Molecular formula

C19H29N3O3S2

Molecular weight

411.59

Exact mass

411.165

XLogP

4.91

TPSA

71.53

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

0.737

Molar refractivity

109.46

Supplementary Information

InChIKey: BYINVERKHUVDGH-UHFFFAOYSA-N

Sinónimos

SCHEMBL999629BYINVERKHUVDGH-UHFFFAOYSA-N[2-(3-Cycloheptyl-3-cyclobutyl-ureido)-thiazol-5-ylsulfanyl]-acetic acid ethyl ester