4-(4-Chloro-6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-yl)morpholine

Cat. No.: PI475111387

Product Details Other Identifiers Computed Properties

CAS	475111-38-7
Purity	95%
Molecular Formula	C15H13ClF2N6O
Molecular Weight	366.75
Molar Refractivity	90.26

Pubchem ID	22036872
InChI Key	AJQZNMCGFMDKGJ-UHFFFAOYSA-N
MDL Number	MFCD10698736

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	7.0
Rotatable Bond Count	3
Topological Polar Surface Area	68.96 Å²
Heavy Atom Count	25
Aromatic Heavy Atoms Number	15
Fraction Csp3	0.33
Log Po/w (iLOGP)	3.05
Log Po/w (XLOGP3)	3.18
Log Po/w (WLOGP)	2.77
Log Po/w (MLOGP)	2.35
Log Po/w (SILICOS-IT)	2.25
Consensus Log Po/w	2.72
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.28 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	2.93

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