3'-{[(2-fluorophenyl)methyl]sulfanyl}-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Chemical Structure Depiction of
3'-{[(2-fluorophenyl)methyl]sulfanyl}-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
3'-{[(2-fluorophenyl)methyl]sulfanyl}-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Compound characteristics
| Compound ID: | 4896-4174 |
| Compound Name: | 3'-{[(2-fluorophenyl)methyl]sulfanyl}-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine] |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C22 H21 F N4 O S |
| Smiles: | C1CCC2(CC1)Nc1ccccc1c1c(nc(nn1)SCc1ccccc1F)O2 |
| Stereo: | ACHIRAL |
| logP: | 5.3512 |
| logD: | 5.3512 |
| logSw: | -5.5284 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.132 |
| InChI Key: | TZLGBHNSYSYBDQ-UHFFFAOYSA-N |