rel-(8aR,11aS)-1-(3-methoxybenzene-1-sulfonyl)decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one
Chemical Structure Depiction of
rel-(8aR,11aS)-1-(3-methoxybenzene-1-sulfonyl)decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one
rel-(8aR,11aS)-1-(3-methoxybenzene-1-sulfonyl)decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one
Compound characteristics
| Compound ID: | S798-0251 |
| Compound Name: | rel-(8aR,11aS)-1-(3-methoxybenzene-1-sulfonyl)decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one |
| Molecular Weight: | 368.45 |
| Molecular Formula: | C17 H24 N2 O5 S |
| Smiles: | COc1cccc(c1)S(N1CCOCCNC([C@@H]2CCC[C@H]12)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.0379 |
| logD: | 1.0379 |
| logSw: | -2.4913 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.166 |
| InChI Key: | ZRJFHBNKRYIRIM-CVEARBPZSA-N |