COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK222084
Chemical Name: N-(1,3-benzodioxol-5-yl)-2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide
Smiles: C=CCn1c(nnc1c1ccc(cc1)OC)SC(C(=O)Nc1ccc2c(c1)OCO2)C

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Molecular Weight: 438.51
Empirical Formula: C22H22N4O4S

Physical State: Dry powder
Available Amount: 204 mg

Lipinsky:
logP: 5.417
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 112
Number of rings: 4

     

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