(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanethioamide

Name: (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanethioamide
SKU: PI368421583
Rating: 5 (1 reviews)

Cat. No.: PI368421583

Product Details Other Identifiers Computed Properties

CAS	368421-58-3
Purity	97%
Molecular Formula	C13H14F2N4OS
Molecular Weight	312.34
Molar Refractivity	76.46

Pubchem ID	20692784
InChI Key	UWVOPVUWKIHGRF-ISVAXAHUSA-N
MDL Number	MFCD28404611

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	5
Topological Polar Surface Area	109.05 Å²
Heavy Atom Count	21
Aromatic Heavy Atoms Number	11
Fraction Csp3	0.31
Log Po/w (iLOGP)	1.9
Log Po/w (XLOGP3)	0.82
Log Po/w (WLOGP)	2.1
Log Po/w (MLOGP)	1.58
Log Po/w (SILICOS-IT)	2.59
Consensus Log Po/w	1.8
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.62 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	0.0
Synthetic Accessibility	3.37

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