N-[(3-chloro-4-fluorophenyl)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-[(3-chloro-4-fluorophenyl)methyl]-7-fluoro-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide
N-[(3-chloro-4-fluorophenyl)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: | P563-1086 |
| Compound Name: | N-[(3-chloro-4-fluorophenyl)methyl]-7-fluoro-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide |
| Molecular Weight: | 424.85 |
| Molecular Formula: | C19 H15 Cl F2 N2 O3 S |
| Smiles: | C1CC2=C(C(NCc3ccc(c(c3)[Cl])F)=O)S(c3cc(ccc3N2C1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.203 |
| logD: | 3.2027 |
| logSw: | -3.608 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.426 |
| InChI Key: | SVQTUBCCWLWZJF-UHFFFAOYSA-N |