COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK280179
Chemical Name: (4Z)-4-({[(4-nitrophenyl)carbonyl]oxy}imino)-2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-one
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])O/N=C\1/CCCc2c1sc1c2c(=O)n2c(n1)CCCCC2

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Molecular Weight: 452.49
Empirical Formula: C22H20N4O5S

Physical State: Dry powder
Available Amount: 1450 mg

Lipinsky:
logP: 3.744
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 145
Number of rings: 5

     

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