4-({4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
Chemical Structure Depiction of
4-({4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
4-({4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | C308-0651 |
| Compound Name: | 4-({4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]benzamide |
| Molecular Weight: | 501.62 |
| Molecular Formula: | C29 H28 F N3 O2 S |
| Smiles: | C1CCN(C1)CCNC(c1ccc(/C=C2/C(N(Cc3ccc(cc3)F)c3ccccc3S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9858 |
| logD: | 3.5776 |
| logSw: | -4.7558 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.673 |
| InChI Key: | XJKWNZDYYQBFCD-UHFFFAOYSA-N |