N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzamide
Chemical Structure Depiction of
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzamide
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzamide
Compound characteristics
| Compound ID: | 8011-6062 |
| Compound Name: | N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C26 H23 N3 O3 S |
| Smiles: | CC1CCc2c(C#N)c(NC(c3ccc(cc3)N3C(C4C5CC(C=C5)C4C3=O)=O)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5239 |
| logD: | 0.7186 |
| logSw: | -4.2677 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.587 |
| InChI Key: | HNWRVDJSBDGEIL-UHFFFAOYSA-N |