N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)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-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB18-0235 |
| Compound Name: | N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 427.55 |
| Molecular Formula: | C23 H33 N5 O3 |
| Smiles: | CC(C)Oc1ccc(CN2C[C@H](C[C@H]2c2nc(C)n[nH]2)NC(C2CCOCC2)=O)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.0688 |
| logD: | 2.0507 |
| logSw: | -2.5825 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.378 |
| InChI Key: | XMIBOAFOEZDEEC-PZJWPPBQSA-N |