ethyl 4-[4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoyl]piperazine-1-carboxylate
ethyl 4-[4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K788-9114 |
| Compound Name: | ethyl 4-[4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoyl]piperazine-1-carboxylate |
| Molecular Weight: | 541.67 |
| Molecular Formula: | C31 H31 N3 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc(\C=C2/C(N(Cc3cccc(C)c3)c3ccccc3S2)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7413 |
| logD: | 5.7413 |
| logSw: | -5.4178 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.498 |
| InChI Key: | MDDHBOIIYHKTMU-UHFFFAOYSA-N |