N-(2,3-dimethylphenyl)-2-{[6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-2-{[6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
N-(2,3-dimethylphenyl)-2-{[6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8009-7041 |
| Compound Name: | N-(2,3-dimethylphenyl)-2-{[6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 523.63 |
| Molecular Formula: | C29 H21 N3 O3 S2 |
| Smiles: | Cc1cccc(c1C)NC(CSc1nc2ccc(cc2s1)N1C(c2cccc3cccc(C1=O)c23)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.835 |
| logD: | 5.835 |
| logSw: | -6.3789 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.504 |
| InChI Key: | ABZBSIOHQHRJTL-UHFFFAOYSA-N |