N-[rel-(3R,4S)-1-{[3-(4-methylphenyl)-1H-pyrazol-4-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-{[3-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[rel-(3R,4S)-1-{[3-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB33-1046 |
| Compound Name: | N-[rel-(3R,4S)-1-{[3-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 449.56 |
| Molecular Formula: | C24 H31 N7 O2 |
| Smiles: | Cc1ccc(cc1)c1c(CN2C[C@H]([C@@H](C2)c2nc(C)n[nH]2)NC(C2CCOCC2)=O)c[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.531 |
| logD: | -1.7144 |
| logSw: | -2.4281 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.229 |
| InChI Key: | LOTVAOMFCMDMLG-SFTDATJTSA-N |