Nom: 3-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-1-[4-(trifluoromethyl)cyclohexyl]urea

SMILES: C1CCC(CC1)N(C2CCC(CC2)C(F)(F)F)C(=O)NC3=NC=C(S3)Br

Molecular Processing

Molecular formula

C17H23BrF3N3OS

Molecular weight

454.36

Exact mass

453.0697

XLogP

6.19

TPSA

45.23

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

0.765

Molar refractivity

99.35

Supplementary Information

InChIKey: GCQPLQRAWNDXOP-UHFFFAOYSA-N

Synonymes

3-(5-Bromo-thiazol-2-yl)-1-cyclohexyl-1-(4-trifluoromethyl-cyclohexyl)-ureaSCHEMBL999131