N-[(3S,5S)-1-[(2-chlorophenyl)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-[(2-chlorophenyl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[(3S,5S)-1-[(2-chlorophenyl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB18-0251 |
| Compound Name: | N-[(3S,5S)-1-[(2-chlorophenyl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 403.91 |
| Molecular Formula: | C20 H26 Cl N5 O2 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2Cc2ccccc2[Cl])NC(C2CCOCC2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.0198 |
| logD: | 2.0102 |
| logSw: | -2.6296 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.575 |
| InChI Key: | WDKYLBVCZYNICN-AEFFLSMTSA-N |