N-(2,6-diethylphenyl)-2-{[6-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,6-diethylphenyl)-2-{[6-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
N-(2,6-diethylphenyl)-2-{[6-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8010-5015 |
| Compound Name: | N-(2,6-diethylphenyl)-2-{[6-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 517.67 |
| Molecular Formula: | C28 H27 N3 O3 S2 |
| Smiles: | CCc1cccc(CC)c1NC(CSc1nc2ccc(cc2s1)N1C(C2C3CC(C=C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.735 |
| logD: | 4.735 |
| logSw: | -4.5977 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.288 |
| InChI Key: | UYMBEMFFNFULMK-UHFFFAOYSA-N |