2-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]imino}-3-(4-fluorophenyl)-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide
Chemical Structure Depiction of
2-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]imino}-3-(4-fluorophenyl)-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide
2-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]imino}-3-(4-fluorophenyl)-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide
Compound characteristics
| Compound ID: | 2739-0244 |
| Compound Name: | 2-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]imino}-3-(4-fluorophenyl)-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide |
| Molecular Weight: | 549.62 |
| Molecular Formula: | C29 H28 F N3 O5 S |
| Smiles: | CCCOc1ccc(cc1)NC(C1CC(N(\C(=N/CCc2ccc3c(c2)OCO3)S1)c1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5834 |
| logD: | 5.5823 |
| logSw: | -5.3761 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.42 |
| InChI Key: | LZVLBUFNFCSDTN-SANMLTNESA-N |