N-[rel-(3R,4S)-1-(cyclopropylmethyl)-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-(cyclopropylmethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[rel-(3R,4S)-1-(cyclopropylmethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB33-0006 |
| Compound Name: | N-[rel-(3R,4S)-1-(cyclopropylmethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 333.43 |
| Molecular Formula: | C17 H27 N5 O2 |
| Smiles: | Cc1nc([C@@H]2CN(CC3CC3)C[C@H]2NC(C2CCOCC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3659 |
| logD: | -3.7983 |
| logSw: | -1.567 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.562 |
| InChI Key: | YAUKYHHXWWGKOK-GJZGRUSLSA-N |