8-[4-(benzyloxy)-3-methoxyphenyl]-3-(4-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
8-[4-(benzyloxy)-3-methoxyphenyl]-3-(4-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-[4-(benzyloxy)-3-methoxyphenyl]-3-(4-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0995 |
| Compound Name: | 8-[4-(benzyloxy)-3-methoxyphenyl]-3-(4-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 501.58 |
| Molecular Formula: | C28 H24 F N3 O3 S |
| Smiles: | COc1cc(ccc1OCc1ccccc1)C1CC(N2CN(CSC2=C1C#N)c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3728 |
| logD: | 5.3728 |
| logSw: | -5.4334 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.719 |
| InChI Key: | CBORAHSMEMDMLM-HSZRJFAPSA-N |