4-(1,3-benzothiazol-2-yl)-1-{3-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl}butan-1-one
Chemical Structure Depiction of
4-(1,3-benzothiazol-2-yl)-1-{3-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl}butan-1-one
4-(1,3-benzothiazol-2-yl)-1-{3-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | SA24-0216 |
| Compound Name: | 4-(1,3-benzothiazol-2-yl)-1-{3-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl}butan-1-one |
| Molecular Weight: | 409.5 |
| Molecular Formula: | C20 H25 F2 N3 O2 S |
| Smiles: | COC[C@@H]1CC(CN1C1CN(C1)C(CCCc1nc2ccccc2s1)=O)(F)F |
| Stereo: | ABSOLUTE |
| logP: | 2.9643 |
| logD: | 2.963 |
| logSw: | -3.2115 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.236 |
| InChI Key: | GNCJBVFSOZJLRN-AWEZNQCLSA-N |