2-{[6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-1,3-benzothiazol-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-1,3-benzothiazol-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
2-{[6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-1,3-benzothiazol-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 8009-4073 |
| Compound Name: | 2-{[6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-1,3-benzothiazol-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide |
| Molecular Weight: | 525.6 |
| Molecular Formula: | C28 H19 N3 O4 S2 |
| Smiles: | COc1ccccc1NC(CSc1nc2ccc(cc2s1)N1C(c2cccc3cccc(C1=O)c23)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9576 |
| logD: | 4.9575 |
| logSw: | -5.2859 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.134 |
| InChI Key: | CBROPILLYNJVBJ-UHFFFAOYSA-N |