N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}oxane-4-carboxamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}oxane-4-carboxamide
N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB33-0074 |
| Compound Name: | N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}oxane-4-carboxamide |
| Molecular Weight: | 375.49 |
| Molecular Formula: | C18 H25 N5 O2 S |
| Smiles: | Cc1nc([C@@H]2CN(Cc3cccs3)C[C@H]2NC(C2CCOCC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8059 |
| logD: | -0.7525 |
| logSw: | -2.4394 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.057 |
| InChI Key: | VEZAUNKRHRBEBJ-HZPDHXFCSA-N |