1-{7-acetyl-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}naphthalen-2-yl acetate
Chemical Structure Depiction of
1-{7-acetyl-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}naphthalen-2-yl acetate
1-{7-acetyl-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}naphthalen-2-yl acetate
Compound characteristics
| Compound ID: | 4896-4652 |
| Compound Name: | 1-{7-acetyl-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}naphthalen-2-yl acetate |
| Molecular Weight: | 498.56 |
| Molecular Formula: | C27 H22 N4 O4 S |
| Smiles: | CC(N1C(c2c(ccc3ccccc23)OC(C)=O)Oc2c(c3ccccc13)nnc(n2)SCC=C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5255 |
| logD: | 4.5255 |
| logSw: | -4.7233 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.205 |
| InChI Key: | RKFNLGPFJGPHNT-SANMLTNESA-N |