rel-(3R,4S)-4-[1-(1H-indole-2-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-indole-2-carbonyl)-1,2,3,6-tetrahydropyridin-4-yl]-3-methoxy-1-[(4-methoxyphenyl)methyl]azetidin-2-one
rel-(3R,4S)-4-[1-(1H-indole-2-carbonyl)-1,2,3,6-tetrahydropyridin-4-yl]-3-methoxy-1-[(4-methoxyphenyl)methyl]azetidin-2-one
Compound characteristics
| Compound ID: | S756-0017 |
| Compound Name: | rel-(3R,4S)-4-[1-(1H-indole-2-carbonyl)-1,2,3,6-tetrahydropyridin-4-yl]-3-methoxy-1-[(4-methoxyphenyl)methyl]azetidin-2-one |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C26 H27 N3 O4 |
| Smiles: | COc1ccc(CN2C([C@@H]([C@@H]2C2CCN(CC=2)C(c2cc3ccccc3[nH]2)=O)OC)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3055 |
| logD: | 3.3055 |
| logSw: | -3.6155 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.738 |
| InChI Key: | SJBZJUNPBSNSHP-BJKOFHAPSA-N |