N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB18-1321 |
| Compound Name: | N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C17 H22 N6 O3 S |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2C(c2cscn2)=O)NC(C2CCOCC2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.2327 |
| logD: | 0.232 |
| logSw: | -1.94 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.953 |
| InChI Key: | HSHKOUKDLVFAHE-OCCSQVGLSA-N |