N-(3-chloro-4-cyanophenyl)-4-[5-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]benzamide

HCID 18766348
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Basic information

Standard SMILES
CC(SC1COC(c2ccc(C(=O)Nc3ccc(C#N)c(Cl)c3)cc2)OC1)C(O)(Cn1cncn1)c1ccc(F)cc1F
InChIKey
VMJYYMMRNHCGOM-UHFFFAOYSA-N
Molecular formula
C30H26ClF2N5O4S
Average molar mass
626.1 g/mol
Monoisotopic mass
625.1362095

Names & identifiers

Preferred name
N-(3-chloro-4-cyanophenyl)-4-[5-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]benzamide
IUPAC
N-(3-chloro-4-cyanophenyl)-4-[5-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]benzamide

Names & synonyms

SCHEMBL6597860

Database identifiers

PubChem CID
18766348

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
148 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
9
Heavy atoms
43

Related reactions

1 records
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Linked notes

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