N-[(4-fluorophenyl)methyl]-1-[(propan-2-yl)carbamothioyl]-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-1-[(propan-2-yl)carbamothioyl]-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
N-[(4-fluorophenyl)methyl]-1-[(propan-2-yl)carbamothioyl]-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | V028-2502 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-1-[(propan-2-yl)carbamothioyl]-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 489.61 |
| Molecular Formula: | C25 H32 F N3 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)NC(N1CC(C(C1)c1cc(c(c(c1)OC)OC)OC)C(NCc1ccc(cc1)F)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2614 |
| logD: | 3.2613 |
| logSw: | -3.5361 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.057 |
| InChI Key: | ANUSMUVENVKDQJ-UHFFFAOYSA-N |