rel-(9aR,12aS)-1-(3-fluorobenzene-1-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-(3-fluorobenzene-1-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-(3-fluorobenzene-1-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0249 |
| Compound Name: | rel-(9aR,12aS)-1-(3-fluorobenzene-1-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 368.47 |
| Molecular Formula: | C18 H25 F N2 O3 S |
| Smiles: | C1CCCN([C@H]2CCC[C@H]2C(NCC1)=O)S(c1cccc(c1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5291 |
| logD: | 2.5291 |
| logSw: | -2.8608 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.714 |
| InChI Key: | VRHPRYUASUCBGT-SJORKVTESA-N |