Doravirine
Properties
- Molecular formula
- C17H11ClF3N5O3
- Molar mass
- 425.75 g/mol
- Exact mass
- 425.0503 Da
- logP
- 3.07Crippen estimate
- Polar surface area
- 106.0 Ų
- H-bond donors / acceptors
- 1 / 6
- Rotatable bonds
- 4
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
1338225-97-0SMILES
Cn1c(O)nnc1Cn1ccc(C(F)(F)F)c(Oc2cc(Cl)cc(C#N)c2)c1=OInChIKey
ZIAOVIPSKUPPQW-UHFFFAOYSA-NInChI
InChI=1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzonitrile, 3-chloro-5-[[1-[(4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]-
- 3-Chloro-5-[[1-[(4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile
- MK 1439
- 3-Chloro-5-[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)pyridin-3-yl]oxybenzonitrile
- Pifeltro
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Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds