2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(5-ethoxy-1,3-benzothiazol-2-yl)propanamide
Chemical Structure Depiction of
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(5-ethoxy-1,3-benzothiazol-2-yl)propanamide
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(5-ethoxy-1,3-benzothiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | 4856-0090 |
| Compound Name: | 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(5-ethoxy-1,3-benzothiazol-2-yl)propanamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | CCOc1ccc2c(c1)nc(NC(C(C)N1C(C3C4CC(C=C4)C3C1=O)=O)=O)s2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7043 |
| logD: | 2.7042 |
| logSw: | -3.2091 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.925 |
| InChI Key: | KXQHQJOUKCBVNB-UHFFFAOYSA-N |