N-(1,2-dihydroacenaphthylen-5-yl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide
Chemical Structure Depiction of
N-(1,2-dihydroacenaphthylen-5-yl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide
N-(1,2-dihydroacenaphthylen-5-yl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | 5983-5258 |
| Compound Name: | N-(1,2-dihydroacenaphthylen-5-yl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C22 H18 N2 O4 S |
| Smiles: | C(CN1C(c2ccccc2S1(=O)=O)=O)C(Nc1ccc2CCc3cccc1c23)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0547 |
| logD: | 3.0539 |
| logSw: | -3.901 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.629 |
| InChI Key: | MTXCUANSGQXOPZ-UHFFFAOYSA-N |