2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-N-[2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-N-[2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-N-[2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-9755 |
| Compound Name: | 2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-N-[2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 497.66 |
| Molecular Formula: | C30 H31 N3 O2 S |
| Smiles: | Cc1cccc(CN2C(/C(=C/c3ccccc3)Sc3ccc(cc23)C(NCCN2CCCC2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.7052 |
| logD: | 4.297 |
| logSw: | -5.33 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.673 |
| InChI Key: | WJWQNBLDMOQZFR-UHFFFAOYSA-N |