N-[rel-(3R,4S)-1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
N-[rel-(3R,4S)-1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Compound characteristics
| Compound ID: | SB33-1139 |
| Compound Name: | N-[rel-(3R,4S)-1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C24 H31 N5 O3 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2NC(C2CCCC2)=O)C(C2(CC2)c2ccc(cc2)OC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0162 |
| logD: | 2.0156 |
| logSw: | -2.7263 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.207 |
| InChI Key: | ZUSWXTFEBPLXQO-WOJBJXKFSA-N |