N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide
Compound characteristics
| Compound ID: | S823-0287 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide |
| Molecular Weight: | 337.38 |
| Molecular Formula: | C18 H19 N5 O2 |
| Smiles: | C1[C@H]([C@@H](CN1c1ccncn1)CO)NC(c1cccc2c1cc[nH]2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3421 |
| logD: | 1.3416 |
| logSw: | -1.8137 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.81 |
| InChI Key: | SBJPJNNWDLGRTB-WBMJQRKESA-N |