N-[rel-(3R,4S)-1-[(1-methyl-1H-indol-3-yl)methyl]-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-[(1-methyl-1H-indol-3-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[rel-(3R,4S)-1-[(1-methyl-1H-indol-3-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB33-1054 |
| Compound Name: | N-[rel-(3R,4S)-1-[(1-methyl-1H-indol-3-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C23 H30 N6 O2 |
| Smiles: | Cc1nc([C@@H]2CN(Cc3cn(C)c4ccccc34)C[C@H]2NC(C2CCOCC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2353 |
| logD: | -2.9008 |
| logSw: | -2.4495 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.598 |
| InChI Key: | RKQYSPLWZSLPHK-PMACEKPBSA-N |