N-[rel-(3R,4S)-1-(cyclopent-3-ene-1-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(cyclopent-3-ene-1-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
N-[rel-(3R,4S)-1-(cyclopent-3-ene-1-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
Compound characteristics
| Compound ID: | SB33-1462 |
| Compound Name: | N-[rel-(3R,4S)-1-(cyclopent-3-ene-1-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C21 H25 N5 O3 |
| Smiles: | COCC(N[C@@H]1CN(C[C@H]1c1nc(c2ccccc2)n[nH]1)C(C1CC=CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5996 |
| logD: | 1.5952 |
| logSw: | -2.1085 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.01 |
| InChI Key: | IOYUKBVSCRIVPC-IAGOWNOFSA-N |