N-[2-(4-chlorophenyl)ethyl]-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-[2-(4-chlorophenyl)ethyl]-7-fluoro-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide
N-[2-(4-chlorophenyl)ethyl]-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: | P563-1117 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-7-fluoro-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide |
| Molecular Weight: | 420.89 |
| Molecular Formula: | C20 H18 Cl F N2 O3 S |
| Smiles: | C1CC2=C(C(NCCc3ccc(cc3)[Cl])=O)S(c3cc(ccc3N2C1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1163 |
| logD: | 3.1163 |
| logSw: | -3.7021 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.268 |
| InChI Key: | KCFRIUPETCYVNW-UHFFFAOYSA-N |