6-[4-(propan-2-yl)phenyl]-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-[4-(propan-2-yl)phenyl]-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[4-(propan-2-yl)phenyl]-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2040-0618 |
| Compound Name: | 6-[4-(propan-2-yl)phenyl]-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 392.52 |
| Molecular Formula: | C22 H24 N4 O S |
| Smiles: | CCCSc1nc2c(c3ccccc3NC(c3ccc(cc3)C(C)C)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7007 |
| logD: | 5.7007 |
| logSw: | -5.6342 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.297 |
| InChI Key: | WHINTWVGUOTCJI-FQEVSTJZSA-N |