2-benzylidene-N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
2-benzylidene-N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-benzylidene-N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-9967 |
| Compound Name: | 2-benzylidene-N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 651.27 |
| Molecular Formula: | C38 H39 Cl N4 O2 S |
| Smiles: | Cc1cccc(CN2C(/C(=C/c3ccccc3)Sc3ccc(cc23)C(NCCCN2CCN(CC2)c2cc(ccc2C)[Cl])=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 8.0989 |
| logD: | 6.9523 |
| logSw: | -6.2557 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.266 |
| InChI Key: | XXXRGCHSJYXBTM-UHFFFAOYSA-N |