Fezolinetant
Properties
- Molecular formula
- C16H15FN6OS
- Molar mass
- 358.40 g/mol
- Exact mass
- 358.1012 Da
- logP
- 2.46Crippen estimate
- Polar surface area
- 76.8 Ų
- H-bond donors / acceptors
- 0 / 6
- Rotatable bonds
- 2
- Stereocentres
- Rin SMILES atom order
Hazards
Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Identifiers
CAS number
1629229-37-3SMILES
C[C@@H]1C2=NN=C(N2CCN1C(=O)C3=CC=C(C=C3)F)C4=NC(=NS4)CInChIKey
PPSNFPASKFYPMN-SECBINFHSA-NInChI
InChI=1S/C16H15FN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1Characterization data
Calculated from the structure, in the form journals print them.
[M + H]+
[M + H]+ Calcd for C16H16FN6OS 359.1085[M + Na]+
[M + Na]+ Calcd for C16H15FN6NaOS 381.0904[M − H]−
[M − H]− Calcd for C16H14FN6OS 357.0939Elemental analysis
Anal. Calcd for C16H15FN6OS: C, 53.62; H, 4.22; N, 23.45; S, 8.95.Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- (4-Fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
- ((8R)-5,6-Dihydro-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1,2,4-triazolo(4,3-a)pyrazin-7(8H)-yl)(4-fluorophenyl)methanone
- Fezolinetantum
- Veoza
- Vezoa
Work with Fezolinetant
Similar compounds
N-(4-Fluorobenzoyl)piperidine58547-67-432 % similar
4-Fluoro-N-methoxy-N-methylbenzamide116332-54-831 % similar
ADX 47273851881-60-230 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.