2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
Chemical Structure Depiction of
2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
Compound characteristics
| Compound ID: | 3049-0307 |
| Compound Name: | 2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide |
| Molecular Weight: | 389.86 |
| Molecular Formula: | C18 H16 Cl N3 O3 S |
| Smiles: | C1Cc2c(C#N)c(NC(CN3C(C4CC=C(CC4C3=O)[Cl])=O)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.398 |
| logD: | 1.1318 |
| logSw: | -3.6212 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.97 |
| InChI Key: | PNYDIUBGKFKCQT-UHFFFAOYSA-N |