3'-(benzylsulfanyl)-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Chemical Structure Depiction of
3'-(benzylsulfanyl)-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
3'-(benzylsulfanyl)-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Compound characteristics
| Compound ID: | 4896-2657 |
| Compound Name: | 3'-(benzylsulfanyl)-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine] |
| Molecular Weight: | 390.51 |
| Molecular Formula: | C22 H22 N4 O S |
| Smiles: | C1CCC2(CC1)Nc1ccccc1c1c(nc(nn1)SCc1ccccc1)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.787 |
| logD: | 4.787 |
| logSw: | -4.758 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.132 |
| InChI Key: | KFSBEGSVLPGBHV-UHFFFAOYSA-N |