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AR-434/15577097 is available in 212 mg

Compound details
MDL #:		MFCD05742249
Formula:		C23 H21 N3 O S
Weight:		387.5
Chiral info:		Not available
Name:		2,7-dibenzyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
SMILES:		O=C2N=C(Cc1ccccc1)Nc5c2c4CCN(Cc3ccccc3)Cc4s5
InChI^TM:		InChI=1S/C23H21N3OS/c27-22-21-18-11-12-26(14-17-9-5-2-6-10-17)15-19(18)28-23(21)25-20(24-22)13-16-7-3-1-4-8-16/h1-10H,11-15H2,(H,24,25,27)
InChIKey^TM:		CIOIKMSCYMFJAS-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		22200 mg/Kg
Chronic LOAEL:		181 mg/Kg
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	5.15	H-acceptors: 4
LogS:	-6.42	H-donors: 1
tPSA:	72.94 Å²	Rotatable bonds: 4

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Disclaimer: Predicted physical and biological properties, such as toxicity, mentioned on this website are indicative only and may not be relied upon in any way. Liability for damages of any kind resulting from reliance on these properties is expressly rejected.