2-benzylidene-4-[(3-methylphenyl)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-[(3-methylphenyl)methyl]-3-oxo-N-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-N-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-9763 |
| Compound Name: | 2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-N-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 511.69 |
| Molecular Formula: | C31 H33 N3 O2 S |
| Smiles: | Cc1cccc(CN2C(/C(=C/c3ccccc3)Sc3ccc(cc23)C(NCCCN2CCCC2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.8284 |
| logD: | 2.7959 |
| logSw: | -5.3811 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.673 |
| InChI Key: | MKIRUQLLGFJYSE-UHFFFAOYSA-N |