4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(pyrrolidin-1-yl)propyl]benzamide
Chemical Structure Depiction of
4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(pyrrolidin-1-yl)propyl]benzamide
4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(pyrrolidin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | K788-9580 |
| Compound Name: | 4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(pyrrolidin-1-yl)propyl]benzamide |
| Molecular Weight: | 515.65 |
| Molecular Formula: | C30 H30 F N3 O2 S |
| Smiles: | C1CCN(C1)CCCNC(c1ccc(\C=C2/C(N(Cc3ccccc3F)c3ccccc3S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2203 |
| logD: | 2.1879 |
| logSw: | -5.3303 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.673 |
| InChI Key: | ZXAGHFFUVAWFSY-UHFFFAOYSA-N |