N-[rel-(3R,4S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
N-[rel-(3R,4S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Compound characteristics
| Compound ID: | SB33-0154 |
| Compound Name: | N-[rel-(3R,4S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide |
| Molecular Weight: | 427.55 |
| Molecular Formula: | C23 H33 N5 O3 |
| Smiles: | CCOc1ccc(CN2C[C@H]([C@@H](C2)c2nc(C)n[nH]2)NC(C2CCCC2)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9075 |
| logD: | -1.0166 |
| logSw: | -2.8082 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.337 |
| InChI Key: | MWOZRZHBCWQAOF-OALUTQOASA-N |