1-tert-butyl-N-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
Chemical Structure Depiction of
1-tert-butyl-N-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
1-tert-butyl-N-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
Compound characteristics
Compound ID: | Y031-4010 |
Compound Name: | 1-tert-butyl-N-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide |
Molecular Weight: | 319.79 |
Molecular Formula: | C16 H18 Cl N3 O2 |
Smiles: | CC(C)(C)N1CC(CC1=O)C(Nc1ccc(C#N)c(c1)[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.1216 |
logD: | 1.9798 |
logSw: | -3.4847 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.103 |
InChI Key: | MACQEFNAVFKFLT-NSHDSACASA-N |