3-{2-[rel-(1R,6S)-8-benzyl-3,8-diazabicyclo[4.2.0]octan-3-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-{2-[rel-(1R,6S)-8-benzyl-3,8-diazabicyclo[4.2.0]octan-3-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
3-{2-[rel-(1R,6S)-8-benzyl-3,8-diazabicyclo[4.2.0]octan-3-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | S616-0084 |
| Compound Name: | 3-{2-[rel-(1R,6S)-8-benzyl-3,8-diazabicyclo[4.2.0]octan-3-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C22 H23 N3 O3 |
| Smiles: | C1CN(C[C@@H]2[C@H]1CN2Cc1ccccc1)C(CN1C(=O)Oc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2695 |
| logD: | 0.255 |
| logSw: | -2.554 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.574 |
| InChI Key: | QYTDVRWWQIFUKJ-HKUYNNGSSA-N |