N-{4-[7-acetyl-3-(ethylsulfanyl)-8,10-dimethyl-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-(ethylsulfanyl)-8,10-dimethyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl}acetamide
N-{4-[7-acetyl-3-(ethylsulfanyl)-8,10-dimethyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl}acetamide
Compound characteristics
| Compound ID: | F579-2247 |
| Compound Name: | N-{4-[7-acetyl-3-(ethylsulfanyl)-8,10-dimethyl-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: | CCSc1nc2c(c3cc(C)cc(C)c3N(C(c3ccc(cc3)NC(C)=O)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0217 |
| logD: | 4.0217 |
| logSw: | -4.1629 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.058 |
| InChI Key: | ATQXSZVUJFEQCI-QHCPKHFHSA-N |