7-fluoro-N-[(3-methylphenyl)methyl]-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide
Chemical Structure Depiction of
7-fluoro-N-[(3-methylphenyl)methyl]-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide
7-fluoro-N-[(3-methylphenyl)methyl]-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide
Compound characteristics
| Compound ID: | P563-1204 |
| Compound Name: | 7-fluoro-N-[(3-methylphenyl)methyl]-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide |
| Molecular Weight: | 386.44 |
| Molecular Formula: | C20 H19 F N2 O3 S |
| Smiles: | Cc1cccc(CNC(C2=C3CCCN3c3ccc(cc3S2(=O)=O)F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.2766 |
| logD: | 3.2765 |
| logSw: | -3.6517 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.426 |
| InChI Key: | PQDDJJVTQRLYPH-UHFFFAOYSA-N |