N-[(3S,5S)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[(3S,5S)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB18-1040 |
| Compound Name: | N-[(3S,5S)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 422.49 |
| Molecular Formula: | C22 H26 N6 O3 |
| Smiles: | Cc1c(CCC(N2C[C@H](C[C@H]2c2nc(C)n[nH]2)NC(c2ccccc2)=O)=O)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | 1.5877 |
| logD: | 1.587 |
| logSw: | -2.0316 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.735 |
| InChI Key: | XEXPWMSMOGFWFI-PKOBYXMFSA-N |