Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

Name: Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate
SKU: PI160844757
Rating: 5 (1 reviews)

Cat. No.: PI160844757

Product Details Other Identifiers Computed Properties

CAS	160844-75-7
Purity	97%
Molecular Formula	C18H20N2O3S
Molecular Weight	344.43
Molar Refractivity	94.23

Pubchem ID	9884549
InChI Key	OGAZOYHQFBSRMC-UHFFFAOYSA-N
MDL Number	MFCD09833701

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	7
Topological Polar Surface Area	100.45 Å²
Heavy Atom Count	24
Aromatic Heavy Atoms Number	11
Fraction Csp3	0.39
Log Po/w (iLOGP)	3.9
Log Po/w (XLOGP3)	4.59
Log Po/w (WLOGP)	4.2
Log Po/w (MLOGP)	1.94
Log Po/w (SILICOS-IT)	5.44
Consensus Log Po/w	4.02
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.14 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	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	3.42

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