N-[rel-(3R,4S)-1-[(2,5-dimethoxyphenyl)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(2,5-dimethoxyphenyl)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
N-[rel-(3R,4S)-1-[(2,5-dimethoxyphenyl)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Compound characteristics
| Compound ID: | SB33-0103 |
| Compound Name: | N-[rel-(3R,4S)-1-[(2,5-dimethoxyphenyl)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C23 H31 N5 O4 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2NC(C2CCCC2)=O)C(Cc2cc(ccc2OC)OC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8297 |
| logD: | 1.8291 |
| logSw: | -2.5315 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.059 |
| InChI Key: | AECALZLURJSNBS-OALUTQOASA-N |