N-[(3S,5S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[(3S,5S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB18-1061 |
| Compound Name: | N-[(3S,5S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C20 H22 N6 O3 |
| Smiles: | Cc1c(C(N2C[C@H](C[C@H]2c2nc(C)n[nH]2)NC(c2ccccc2)=O)=O)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | 1.0244 |
| logD: | 1.0237 |
| logSw: | -1.8985 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.262 |
| InChI Key: | JOBHTRQQPGELSH-JKSUJKDBSA-N |