4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K788-8914 |
| Compound Name: | 4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide |
| Molecular Weight: | 532.1 |
| Molecular Formula: | C30 H30 Cl N3 O2 S |
| Smiles: | CCN1CCCC1CNC(c1ccc(\C=C2/C(N(Cc3cccc(c3)[Cl])c3ccccc3S2)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7925 |
| logD: | 5.2521 |
| logSw: | -5.8935 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.39 |
| InChI Key: | CLLZPIUZJCWBOZ-RUZDIDTESA-N |