1-[rel-(3R,4R)-3-{1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl}-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-{1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl}-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
1-[rel-(3R,4R)-3-{1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl}-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S995-0020 |
| Compound Name: | 1-[rel-(3R,4R)-3-{1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl}-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 413.58 |
| Molecular Formula: | C23 H31 N3 O2 S |
| Smiles: | CC(N1C[C@@H](COc2ccccc2)[C@@H](C1)C1CCN(CC1)Cc1c(C)ncs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3511 |
| logD: | 2.6948 |
| logSw: | -3.3492 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.753 |
| InChI Key: | HVKRVHOQEMVUCS-IFMALSPDSA-N |