2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-N-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-N-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-N-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-8729 |
| Compound Name: | 2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-N-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 515.65 |
| Molecular Formula: | C30 H30 F N3 O2 S |
| Smiles: | C1CCN(C1)CCCNC(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(/C(=C/c1ccccc1)S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2109 |
| logD: | 2.1784 |
| logSw: | -5.3716 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.673 |
| InChI Key: | CZKFKKVJUOWYAT-UHFFFAOYSA-N |