N-[(3S,5S)-1-(1H-indole-4-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-(1H-indole-4-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[(3S,5S)-1-(1H-indole-4-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB18-1303 |
| Compound Name: | N-[(3S,5S)-1-(1H-indole-4-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 422.49 |
| Molecular Formula: | C22 H26 N6 O3 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2C(c2cccc3c2cc[nH]3)=O)NC(C2CCOCC2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 1.133 |
| logD: | 1.1324 |
| logSw: | -2.0676 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.106 |
| InChI Key: | SVRZCQGUCWTOFE-BEFAXECRSA-N |