4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
Chemical Structure Depiction of
4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | K788-9012 |
| Compound Name: | 4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide |
| Molecular Weight: | 564.11 |
| Molecular Formula: | C33 H26 Cl N3 O2 S |
| Smiles: | C(CNC(c1ccc(\C=C2/C(N(Cc3cccc(c3)[Cl])c3ccccc3S2)=O)cc1)=O)c1c[nH]c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 7.082 |
| logD: | 7.082 |
| logSw: | -6.5251 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.195 |
| InChI Key: | PLBKQVGVHYGNAQ-UHFFFAOYSA-N |