Molecules/(2S)-3-[[4-[2-hydroxy-4-(trifluoromethyl)phenyl]phthalazin-1-yl]amino]propane-1,2-diol

(2S)-3-[[4-[2-hydroxy-4-(trifluoromethyl)phenyl]phthalazin-1-yl]amino]propane-1,2-diol

C18H16F3N3O3379.30 g/molCID 166456099

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Molecular Identity

(2S)-3-[[4-[2-hydroxy-4-(trifluoromethyl)phenyl]phthalazin-1-yl]amino]propane-1,2-diol

PubChem CID: 166456099

2D Structure

Properties

C₁₈H₁₆F₃N₃O₃

Molecular Formula

379.30

Molecular Weight

g/mol

379.1144

Exact Mass

2.9

XLogP

Drug-like (Lipinski: < 5)

98.5

TPSA

Good oral absorption (< 140 A²)

H-Bond Donors

H-Bond Acceptors

483

Complexity

SMILES

Canonical SMILES

SMILES: C1=CC=C2C(=C1)C(=NN=C2NCC(CO)O)C3=C(C=C(C=C3)C(F)(F)F)O

Isomeric SMILES

SMILES: C1=CC=C2C(=C1)C(=NN=C2NC[C@@H](CO)O)C3=C(C=C(C=C3)C(F)(F)F)O

Synonyms(20)

AZD41442890191-41-8Berzanoflast(2S)-3-[[4-[2-hydroxy-4-(trifluoromethyl)phenyl]phthalazin-1-yl]amino]propane-1,2-diol(2S)-3-({4-[2-hydroxy-4-(trifluoromethyl)phenyl]phthalazin-1-yl}amino)propane-1,2-diolberzanoflast [INN]7Q2LJE7DEForb2646011orb3032867SCHEMBL24855361SCHEMBL30181085GTPL14536US11970463, Example 1BDBM670021AZD-4144

Data from PubChem (NCBI)

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Molecular Structure

(2S)-3-[[4-[2-hydroxy-4-(trifluoromethyl)phenyl]phthalazin-1-yl]amino]propane-1,2-diol

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Source: PubChem

Drug Network

Trials and conditions connected to (2S)-3-[[4-[2-hydroxy-4-(trifluoromethyl)phenyl]phthalazin-1-yl]amino]propane-1,2-diol

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