N-[(3S,5S)-1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[(3S,5S)-1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB18-0269 |
| Compound Name: | N-[(3S,5S)-1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 401.47 |
| Molecular Formula: | C19 H27 N7 O3 |
| Smiles: | Cc1cc(C(N2C[C@H](C[C@H]2c2nc(C)n[nH]2)NC(C2CCOCC2)=O)=O)n(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | -0.4639 |
| logD: | -0.4646 |
| logSw: | -1.1942 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.647 |
| InChI Key: | ULHDZXSWHXHETQ-CABCVRRESA-N |