N-[rel-(3R,4S)-1-(4-bromo-3-methylbenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(4-bromo-3-methylbenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-1-(4-bromo-3-methylbenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | S823-4591 |
| Compound Name: | N-[rel-(3R,4S)-1-(4-bromo-3-methylbenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 355.23 |
| Molecular Formula: | C15 H19 Br N2 O3 |
| Smiles: | CC(N[C@@H]1CN(C[C@H]1CO)C(c1ccc(c(C)c1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8172 |
| logD: | 0.8172 |
| logSw: | -1.8992 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.742 |
| InChI Key: | BQZGTYPFEWVALB-OCCSQVGLSA-N |