1-{10-methyl-3-[(3-methylbutyl)sulfanyl]-6-(2-methylphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{10-methyl-3-[(3-methylbutyl)sulfanyl]-6-(2-methylphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
1-{10-methyl-3-[(3-methylbutyl)sulfanyl]-6-(2-methylphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | F579-4388 |
| Compound Name: | 1-{10-methyl-3-[(3-methylbutyl)sulfanyl]-6-(2-methylphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one |
| Molecular Weight: | 448.59 |
| Molecular Formula: | C25 H28 N4 O2 S |
| Smiles: | CC(C)CCSc1nc2c(c3cc(C)ccc3N(C(c3ccccc3C)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5525 |
| logD: | 5.5525 |
| logSw: | -5.4221 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.639 |
| InChI Key: | SGRNTBVFWFGKDQ-DEOSSOPVSA-N |