N-[(3S,5S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[(3S,5S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB18-0292 |
| Compound Name: | N-[(3S,5S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C23 H33 N5 O4 |
| Smiles: | CCOc1ccc(CN2C[C@H](C[C@H]2c2nc(C)n[nH]2)NC(C2CCOCC2)=O)cc1OC |
| Stereo: | ABSOLUTE |
| logP: | 1.3209 |
| logD: | 0.9897 |
| logSw: | -2.1729 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.416 |
| InChI Key: | CSZRWMNJXJYVAR-RBUKOAKNSA-N |