N-(4-{7-acetyl-10-methyl-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-10-methyl-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-10-methyl-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: | F579-1671 |
| Compound Name: | N-(4-{7-acetyl-10-methyl-3-[(2-methylpropyl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenyl)acetamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C25 H27 N5 O3 S |
| Smiles: | CC(C)CSc1nc2c(c3cc(C)ccc3N(C(c3ccc(cc3)NC(C)=O)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0761 |
| logD: | 4.0761 |
| logSw: | -4.2039 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.901 |
| InChI Key: | STFHHTITWOOWAI-DEOSSOPVSA-N |