COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK760694
Chemical Name: 3',5'-di-tert-butyl-6-chloro-2-(4-nitrophenyl)-4H,4'H-spiro[1,4-benzoxazine-3,1'-cyclohexa[2,5]dien]-4'-one
Smiles: Clc1ccc2c(c1)NC1(C(O2)c2ccc(cc2)[N+](=O)[O-])C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C

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Molecular Weight: 480.99
Empirical Formula: C27H29ClN2O4

Physical State: Dry powder
Available Amount: 53 mg

Lipinsky:
logP: 8.037
Rotatable bonds: 0
H-donors: 1
H-acceptors: 4
PSA: 84
Number of rings: 4

     

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