N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-9402 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 623.22 |
| Molecular Formula: | C36 H35 Cl N4 O2 S |
| Smiles: | Cc1ccccc1CN1C(/C(=C\c2ccc(cc2)C(NCCN2CCN(CC2)c2cccc(c2)[Cl])=O)Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1469 |
| logD: | 7.1228 |
| logSw: | -6.2057 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.567 |
| InChI Key: | CASMYSVRXQIPDH-UHFFFAOYSA-N |