N-(3-methylbutyl)-1-[(propan-2-yl)carbamothioyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
N-(3-methylbutyl)-1-[(propan-2-yl)carbamothioyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
N-(3-methylbutyl)-1-[(propan-2-yl)carbamothioyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | V028-2544 |
| Compound Name: | N-(3-methylbutyl)-1-[(propan-2-yl)carbamothioyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 429.55 |
| Molecular Formula: | C21 H30 F3 N3 O S |
| Salt: | not_available |
| Smiles: | CC(C)CCNC(C1CN(CC1c1cccc(c1)C(F)(F)F)C(NC(C)C)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6692 |
| logD: | 4.6692 |
| logSw: | -4.377 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 36.192 |
| InChI Key: | RSZPAJLWXMACDE-UHFFFAOYSA-N |