N-[rel-(3R,4S)-1-(5-methylthiophene-2-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(5-methylthiophene-2-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[rel-(3R,4S)-1-(5-methylthiophene-2-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB33-0046 |
| Compound Name: | N-[rel-(3R,4S)-1-(5-methylthiophene-2-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C19 H25 N5 O3 S |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2NC(C2CCOCC2)=O)C(c2ccc(C)s2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1962 |
| logD: | 1.1957 |
| logSw: | -2.4966 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.973 |
| InChI Key: | XPSQAESTMDWTHN-HUUCEWRRSA-N |