Ethyl 2-(2,4,5-trimethoxybenzamido)thiazole-4-carboxylate

Name: Ethyl 2-(2,4,5-trimethoxybenzamido)thiazole-4-carboxylate
SKU: PI185105980
Rating: 5 (1 reviews)

Cat. No.: PI185105980

Product Details Other Identifiers Computed Properties

CAS	185105-98-0
Purity	97%
Molecular Formula	C16H18N2O6S
Molecular Weight	366.39
Molar Refractivity	91.89

Pubchem ID	10215672
InChI Key	BWDNVLPYCMAUGL-UHFFFAOYSA-N
MDL Number	MFCD17549707

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	7.0
Rotatable Bond Count	9
Topological Polar Surface Area	124.22 Å²
Heavy Atom Count	25
Aromatic Heavy Atoms Number	11
Fraction Csp3	0.31
Log Po/w (iLOGP)	2.71
Log Po/w (XLOGP3)	2.59
Log Po/w (WLOGP)	2.41
Log Po/w (MLOGP)	0.27
Log Po/w (SILICOS-IT)	3.19
Consensus Log Po/w	2.23
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.7 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	2.0
Synthetic Accessibility	3.23

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