N-[(3S,5S)-1-[(azepan-1-yl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[(azepan-1-yl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[(3S,5S)-1-[(azepan-1-yl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB18-1354 |
| Compound Name: | N-[(3S,5S)-1-[(azepan-1-yl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C21 H34 N6 O3 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2C(CN2CCCCCC2)=O)NC(C2CCOCC2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.6146 |
| logD: | 0.2632 |
| logSw: | -1.1198 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.133 |
| InChI Key: | NELJXRHKMFTDKW-ZWKOTPCHSA-N |