4-({4-[(2-methylphenyl)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-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | K788-9395 |
| Compound Name: | 4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]benzamide |
| Molecular Weight: | 497.66 |
| Molecular Formula: | C30 H31 N3 O2 S |
| Smiles: | Cc1ccccc1CN1C(/C(=C\c2ccc(cc2)C(NCCN2CCCC2)=O)Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5754 |
| logD: | 4.1672 |
| logSw: | -5.3448 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.673 |
| InChI Key: | AHWNHLWJXMMYSR-UHFFFAOYSA-N |