N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-2H-1,3-benzodioxole-5-carboxamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | S823-0253 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 342.35 |
| Molecular Formula: | C17 H18 N4 O4 |
| Smiles: | C1[C@H]([C@@H](CN1c1ccncn1)CO)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.963 |
| logD: | 0.9624 |
| logSw: | -1.7892 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.145 |
| InChI Key: | LEODWPYFNPWKOV-OLZOCXBDSA-N |