N-(4-{7-acetyl-3-[(2-methylpropyl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenyl)acetamide

Chemical Structure Depiction of
N-(4-{7-acetyl-3-[(2-methylpropyl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenyl)acetamide
Available: 138 mg
Amount:
mg
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Compound characteristics

Compound ID: F579-0842
Compound Name: N-(4-{7-acetyl-3-[(2-methylpropyl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenyl)acetamide
Molecular Weight: 463.56
Molecular Formula: C24 H25 N5 O3 S
Smiles: [H]c1ccc2c(c1)c1c(nc(nn1)SCC(C)C)OC(c1ccc(cc1)NC(C)=O)N2C(C)=O
Stereo: RACEMIC MIXTURE
logP: 3.5835
logD: 3.5835
logSw: -3.9126
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 1
Polar surface area: 77.901
InChI Key: SRLVLUAGQKACPC-QHCPKHFHSA-N
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