N-[2-(1H-indol-3-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-(1H-indol-3-yl)ethyl]-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-[2-(1H-indol-3-yl)ethyl]-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-9044 |
| Compound Name: | N-[2-(1H-indol-3-yl)ethyl]-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 543.69 |
| Molecular Formula: | C34 H29 N3 O2 S |
| Smiles: | Cc1ccccc1CN1C(/C(=C\c2ccc(cc2)C(NCCc2c[nH]c3ccccc23)=O)Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0452 |
| logD: | 7.0452 |
| logSw: | -5.8292 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.195 |
| InChI Key: | HATRBJDEOOVQRR-UHFFFAOYSA-N |