N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(thiophene-3-carbonyl)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-(thiophene-3-carbonyl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB33-0001 |
| Compound Name: | N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 389.47 |
| Molecular Formula: | C18 H23 N5 O3 S |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2NC(C2CCOCC2)=O)C(c2ccsc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2384 |
| logD: | 0.2379 |
| logSw: | -2.3871 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.973 |
| InChI Key: | FASCOAQRGCOPJS-HUUCEWRRSA-N |