11-(2-Chloroacetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one

Name: 11-(2-Chloroacetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one
SKU: PI28797480
Rating: 5 (1 reviews)

Catalog NumberPI28797480

CAS Number28797-48-0

CategoryCardiovascular Agents Intermediates

11-(2-Chloroacetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one

Product Details

Purity	98%
Molecular Formula	C14H10ClN3O2
Molecular Weight	287.70
Molar Refractivity	77.96

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Other Identifiers

Pubchem ID	120053
InChI Key	RMBZFWLMYVPNGI-UHFFFAOYSA-N
MDL Number	MFCD21648226

Computed Properties

Aromatic Heavy Atoms Number	15
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	2.03
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.07
Ghose	None
GI Absorption	High
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	0.0
Lipinski	0.0
Log Kp (Skin Permeation)	-7.46 cm/s
Log Po/w (iLOGP)	1.8
Log Po/w (MLOGP)	2.48
Log Po/w (SILICOS-IT)	2.7
Log Po/w (WLOGP)	2.32
Log Po/w (XLOGP3)	0.84
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	2
Synthetic Accessibility	2.24
Topological Polar Surface Area	67.75 Å²
Veber	0.0

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