N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(4-phenylbutanoyl)pyrrolidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(4-phenylbutanoyl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(4-phenylbutanoyl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB18-1295 |
| Compound Name: | N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(4-phenylbutanoyl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C23 H31 N5 O3 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2C(CCCc2ccccc2)=O)NC(C2CCOCC2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.2639 |
| logD: | 2.2632 |
| logSw: | -2.5637 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.798 |
| InChI Key: | BHCAZOFLIFRTKJ-VQTJNVASSA-N |