1-(3-chloro-2-methylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxopyrrolidine-3-carboxamide
Chemical Structure Depiction of
1-(3-chloro-2-methylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxopyrrolidine-3-carboxamide
1-(3-chloro-2-methylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxopyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | 8011-9540 |
| Compound Name: | 1-(3-chloro-2-methylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxopyrrolidine-3-carboxamide |
| Molecular Weight: | 413.92 |
| Molecular Formula: | C21 H20 Cl N3 O2 S |
| Smiles: | Cc1c(cccc1[Cl])N1CC(CC1=O)C(Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0518 |
| logD: | 1.6286 |
| logSw: | -4.4683 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.55 |
| InChI Key: | IWIZUAXKWJLWAN-CYBMUJFWSA-N |