3'-(propylsulfanyl)-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Chemical Structure Depiction of
3'-(propylsulfanyl)-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
3'-(propylsulfanyl)-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Compound characteristics
| Compound ID: | 4896-2379 |
| Compound Name: | 3'-(propylsulfanyl)-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine] |
| Molecular Weight: | 342.46 |
| Molecular Formula: | C18 H22 N4 O S |
| Smiles: | CCCSc1nc2c(c3ccccc3NC3(CCCCC3)O2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.3141 |
| logD: | 4.3141 |
| logSw: | -4.343 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.403 |
| InChI Key: | WHRPPPXHHDWQJB-UHFFFAOYSA-N |