4-phenyl-1-[(propan-2-yl)carbamothioyl]-N-[(pyridin-3-yl)methyl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
4-phenyl-1-[(propan-2-yl)carbamothioyl]-N-[(pyridin-3-yl)methyl]pyrrolidine-3-carboxamide
4-phenyl-1-[(propan-2-yl)carbamothioyl]-N-[(pyridin-3-yl)methyl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | V027-1108 |
| Compound Name: | 4-phenyl-1-[(propan-2-yl)carbamothioyl]-N-[(pyridin-3-yl)methyl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 382.53 |
| Molecular Formula: | C21 H26 N4 O S |
| Salt: | not_available |
| Smiles: | CC(C)NC(N1CC(C(C1)c1ccccc1)C(NCc1cccnc1)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.342 |
| logD: | 2.3396 |
| logSw: | -2.4791 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.597 |
| InChI Key: | ICXUCLGWQBWNQM-UHFFFAOYSA-N |