Name: 4-(4-bromo-2-fluorophenyl)-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one

SMILES: O=C(C1CC1)N1CCC(Cc2n[nH]c(=O)n2-c2ccc(Br)cc2F)C1

Molecular Processing

Molecular formula

C17H18BrFN4O2

Molecular weight

409.26

Exact mass

408.0597

XLogP

2.26

TPSA

70.99

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

0.471

Molar refractivity

92.96

Supplementary Information

InChIKey: BQDMHNADWPHWTG-UHFFFAOYSA-N

Synonyme

SCHEMBL15874488