rel-(9aR,12aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0252 |
| Compound Name: | rel-(9aR,12aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 410.53 |
| Molecular Formula: | C20 H30 N2 O5 S |
| Smiles: | COc1ccc(c(c1)S(N1CCCCCCNC([C@@H]2CCC[C@H]12)=O)(=O)=O)OC |
| Stereo: | RELATIVE |
| logP: | 2.2922 |
| logD: | 2.2922 |
| logSw: | -2.8873 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.888 |
| InChI Key: | YKNCVQYFNNRTEZ-SJORKVTESA-N |