4-({4-[(2,5-dimethylphenyl)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-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
4-({4-[(2,5-dimethylphenyl)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: | C700-0503 |
| Compound Name: | 4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide |
| Molecular Weight: | 557.72 |
| Molecular Formula: | C35 H31 N3 O2 S |
| Smiles: | Cc1ccc(C)c(CN2C(/C(=C\c3ccc(cc3)C(NCCc3c[nH]c4ccccc34)=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.4726 |
| logD: | 7.4726 |
| logSw: | -5.726 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.195 |
| InChI Key: | CMEBJCUNPBGLKC-UHFFFAOYSA-N |