rel-(3R,4S)-4-[1-(1H-indazole-3-carbonyl)-1,2,3,6-tetrahydropyridin-4-yl]-3-methoxy-1-[(4-methoxyphenyl)methyl]azetidin-2-one
Chemical Structure Depiction of
rel-(3R,4S)-4-[1-(1H-indazole-3-carbonyl)-1,2,3,6-tetrahydropyridin-4-yl]-3-methoxy-1-[(4-methoxyphenyl)methyl]azetidin-2-one
rel-(3R,4S)-4-[1-(1H-indazole-3-carbonyl)-1,2,3,6-tetrahydropyridin-4-yl]-3-methoxy-1-[(4-methoxyphenyl)methyl]azetidin-2-one
Compound characteristics
| Compound ID: | S756-0020 |
| Compound Name: | rel-(3R,4S)-4-[1-(1H-indazole-3-carbonyl)-1,2,3,6-tetrahydropyridin-4-yl]-3-methoxy-1-[(4-methoxyphenyl)methyl]azetidin-2-one |
| Molecular Weight: | 446.51 |
| Molecular Formula: | C25 H26 N4 O4 |
| Smiles: | COc1ccc(CN2C([C@@H]([C@@H]2C2CCN(CC=2)C(c2c3ccccc3[nH]n2)=O)OC)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3344 |
| logD: | 2.3344 |
| logSw: | -2.7716 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.636 |
| InChI Key: | ZEMZHIWZUXJSHV-XZOQPEGZSA-N |