N-[rel-(3R,4S)-1-[(3-methylthiophen-2-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(3-methylthiophen-2-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
N-[rel-(3R,4S)-1-[(3-methylthiophen-2-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Compound characteristics
| Compound ID: | SB33-1090 |
| Compound Name: | N-[rel-(3R,4S)-1-[(3-methylthiophen-2-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide |
| Molecular Weight: | 373.52 |
| Molecular Formula: | C19 H27 N5 O S |
| Smiles: | Cc1ccsc1CN1C[C@H]([C@@H](C1)c1nc(C)n[nH]1)NC(C1CCCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2755 |
| logD: | 0.9256 |
| logSw: | -2.8894 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.515 |
| InChI Key: | XSIHTOOFDUERFJ-HZPDHXFCSA-N |