methyl 2-[rel-(1R,4R,5R)-5-benzamido-2-azabicyclo[2.2.1]heptane-2-sulfonyl]benzoate
Chemical Structure Depiction of
methyl 2-[rel-(1R,4R,5R)-5-benzamido-2-azabicyclo[2.2.1]heptane-2-sulfonyl]benzoate
methyl 2-[rel-(1R,4R,5R)-5-benzamido-2-azabicyclo[2.2.1]heptane-2-sulfonyl]benzoate
Compound characteristics
| Compound ID: | S034-1287 |
| Compound Name: | methyl 2-[rel-(1R,4R,5R)-5-benzamido-2-azabicyclo[2.2.1]heptane-2-sulfonyl]benzoate |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C21 H22 N2 O5 S |
| Smiles: | COC(c1ccccc1S(N1C[C@@H]2C[C@H]1C[C@@H]2NC(c1ccccc1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5088 |
| logD: | 2.5088 |
| logSw: | -2.9981 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.288 |
| InChI Key: | YJZGPNPIFMOKBI-XYJFISCASA-N |