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
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
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 |