N-[rel-(3R,4S)-1-[(4-methyl-1,3-thiazol-5-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-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[rel-(3R,4S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB33-0050 |
| Compound Name: | N-[rel-(3R,4S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 390.51 |
| Molecular Formula: | C18 H26 N6 O2 S |
| Smiles: | Cc1c(CN2C[C@H]([C@@H](C2)c2nc(C)n[nH]2)NC(C2CCOCC2)=O)scn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2849 |
| logD: | -1.4564 |
| logSw: | -2.2995 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.244 |
| InChI Key: | QFRFFLZOTJALCP-HUUCEWRRSA-N |