BMS-707035

Name: BMS-707035
SKU: PI729607743
Rating: 5 (1 reviews)

Catalog NumberPI729607743

CAS Number729607-74-3

CategoryAnti-Infection Intermediates

Product Details

Synonyms	2-(1,1-Dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
Purity	98%
Molecular Formula	C17H19FN4O5S
Molecular Weight	410.42
Molar Refractivity	102.83

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Other Identifiers

Pubchem ID	54682040
InChI Key	VNIWZCGZPBJWBI-UHFFFAOYSA-N
MDL Number	MFCD18074518

Computed Properties

Aromatic Heavy Atoms Number	12
BBB Permeant	No
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	1.11
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.35
Ghose	None
GI Absorption	High
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	7.0
Hydrogen Bond Donor Count	2.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-8.09 cm/s
Log Po/w (iLOGP)	2.06
Log Po/w (MLOGP)	0.35
Log Po/w (SILICOS-IT)	0.67
Log Po/w (WLOGP)	1.45
Log Po/w (XLOGP3)	1.01
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	5
Synthetic Accessibility	3.44
Topological Polar Surface Area	129.98 Å²
Veber	0.0

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