3-{3-[(2S)-4,4-difluoro-2-(phenoxymethyl)pyrrolidin-1-yl]-3-oxopropyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-{3-[(2S)-4,4-difluoro-2-(phenoxymethyl)pyrrolidin-1-yl]-3-oxopropyl}-1,3-benzoxazol-2(3H)-one
3-{3-[(2S)-4,4-difluoro-2-(phenoxymethyl)pyrrolidin-1-yl]-3-oxopropyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | CM4579-2923 |
| Compound Name: | 3-{3-[(2S)-4,4-difluoro-2-(phenoxymethyl)pyrrolidin-1-yl]-3-oxopropyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 402.4 |
| Molecular Formula: | C21 H20 F2 N2 O4 |
| Smiles: | C(CN1C(=O)Oc2ccccc12)C(N1CC(C[C@H]1COc1ccccc1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.3609 |
| logD: | 3.3609 |
| logSw: | -3.6847 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.611 |
| InChI Key: | UNIOEHLWKDIMOH-OAHLLOKOSA-N |