N-[(3,4-dimethoxyphenyl)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-[(3,4-dimethoxyphenyl)methyl]-7-fluoro-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide
N-[(3,4-dimethoxyphenyl)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: | P563-1055 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-7-fluoro-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide |
| Molecular Weight: | 432.47 |
| Molecular Formula: | C21 H21 F N2 O5 S |
| Smiles: | COc1ccc(CNC(C2=C3CCCN3c3ccc(cc3S2(=O)=O)F)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.203 |
| logD: | 2.203 |
| logSw: | -2.8758 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.687 |
| InChI Key: | VMNFEJPOBMRXRY-UHFFFAOYSA-N |