5-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-bromo-1,2-phenylene diacetate
Chemical Structure Depiction of
5-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-bromo-1,2-phenylene diacetate
5-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-bromo-1,2-phenylene diacetate
Compound characteristics
| Compound ID: | 4896-3478 |
| Compound Name: | 5-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-bromo-1,2-phenylene diacetate |
| Molecular Weight: | 559.39 |
| Molecular Formula: | C23 H19 Br N4 O6 S |
| Smiles: | CC(N1C(c2cc(c(c(c2)[Br])OC(C)=O)OC(C)=O)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2605 |
| logD: | 3.2605 |
| logSw: | -3.83 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 96.401 |
| InChI Key: | IJWBYBIQOPKXLN-QFIPXVFZSA-N |