4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
Chemical Structure Depiction of
4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | K788-7930 |
| Compound Name: | 4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide |
| Molecular Weight: | 525.67 |
| Molecular Formula: | C31 H31 N3 O3 S |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(NCCCN3CCCC3=O)=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6121 |
| logD: | 4.6121 |
| logSw: | -4.2492 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.837 |
| InChI Key: | IJYSHNSFNPRXGE-UHFFFAOYSA-N |