N-[(3S,5S)-1-(4-methoxy-2-methylbenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(4-methoxy-2-methylbenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[(3S,5S)-1-(4-methoxy-2-methylbenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB18-0399 |
| Compound Name: | N-[(3S,5S)-1-(4-methoxy-2-methylbenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C23 H25 N5 O3 |
| Smiles: | Cc1cc(ccc1C(N1C[C@H](C[C@H]1c1nc(C)n[nH]1)NC(c1ccccc1)=O)=O)OC |
| Stereo: | ABSOLUTE |
| logP: | 2.5661 |
| logD: | 2.5654 |
| logSw: | -3.071 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.768 |
| InChI Key: | KDPRWPYDXVYAPE-XLIONFOSSA-N |