10'-bromo-3'-(propylsulfanyl)-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Chemical Structure Depiction of
10'-bromo-3'-(propylsulfanyl)-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
10'-bromo-3'-(propylsulfanyl)-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Compound characteristics
| Compound ID: | 6188-0073 |
| Compound Name: | 10'-bromo-3'-(propylsulfanyl)-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine] |
| Molecular Weight: | 421.36 |
| Molecular Formula: | C18 H21 Br N4 O S |
| Smiles: | CCCSc1nc2c(c3cc(ccc3NC3(CCCCC3)O2)[Br])nn1 |
| Stereo: | ACHIRAL |
| logP: | 5.2492 |
| logD: | 5.2492 |
| logSw: | -5.0654 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.403 |
| InChI Key: | JIPZNVQBJNJIIG-UHFFFAOYSA-N |