COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK033693
Chemical Name: 2-(ethylsulfanyl)ethyl1,6-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Smiles: [O-][N+](=O)c1cc2OCOc2cc1C1NC(=O)N(C(=C1C(=O)OCCSCC)C)C

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Molecular Weight: 423.45
Empirical Formula: C18H21N3O7S

Physical State: Dry powder
Available Amount: 248 mg

Lipinsky:
logP: 2.938
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 148
Number of rings: 3

     

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