N-[(4-ethylphenyl)methyl]-7-fluoro-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide
Chemical Structure Depiction of
N-[(4-ethylphenyl)methyl]-7-fluoro-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide
N-[(4-ethylphenyl)methyl]-7-fluoro-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide
Compound characteristics
| Compound ID: | P563-1026 |
| Compound Name: | N-[(4-ethylphenyl)methyl]-7-fluoro-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide |
| Molecular Weight: | 400.47 |
| Molecular Formula: | C21 H21 F N2 O3 S |
| Smiles: | CCc1ccc(CNC(C2=C3CCCN3c3ccc(cc3S2(=O)=O)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5187 |
| logD: | 3.5186 |
| logSw: | -3.9025 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.426 |
| InChI Key: | VDPOKHACRVORNA-UHFFFAOYSA-N |