N-[rel-(3R,4S)-1-(3-methylbutanoyl)-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-(3-methylbutanoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[rel-(3R,4S)-1-(3-methylbutanoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB33-0033 |
| Compound Name: | N-[rel-(3R,4S)-1-(3-methylbutanoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 363.46 |
| Molecular Formula: | C18 H29 N5 O3 |
| Smiles: | CC(C)CC(N1C[C@H]([C@@H](C1)c1nc(C)n[nH]1)NC(C1CCOCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4311 |
| logD: | 0.4305 |
| logSw: | -1.6958 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.699 |
| InChI Key: | JEXFVYBWZLYDON-GJZGRUSLSA-N |