N-[(3S,5S)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[(3S,5S)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB18-1071 |
| Compound Name: | N-[(3S,5S)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 424.46 |
| Molecular Formula: | C21 H24 N6 O4 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2C(c2c(COC)c(C)on2)=O)NC(c2ccccc2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.9435 |
| logD: | 0.9428 |
| logSw: | -1.7455 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.88 |
| InChI Key: | QZARJIVCOFVHNW-DOTOQJQBSA-N |