1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
Compound ID: | S997-1363 |
Compound Name: | 1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
Molecular Weight: | 392.52 |
Molecular Formula: | C20 H28 N2 O4 S |
Smiles: | CC(N1CC[C@]2(CN(C[C@H]2C1)S(c1ccc2CCCCc2c1)(=O)=O)CO)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 2.0125 |
logD: | 2.0125 |
logSw: | -2.5538 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.268 |
InChI Key: | IZNFMJFDZIWLIV-UYAOXDASSA-N |