rel-(9aR,12aS)-1-(3-methoxybenzene-1-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-(3-methoxybenzene-1-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-(3-methoxybenzene-1-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0253 |
| Compound Name: | rel-(9aR,12aS)-1-(3-methoxybenzene-1-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C19 H28 N2 O4 S |
| Smiles: | COc1cccc(c1)S(N1CCCCCCNC([C@@H]2CCC[C@H]12)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4193 |
| logD: | 2.4193 |
| logSw: | -2.8439 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.257 |
| InChI Key: | VVUOKTBIXDCIKK-MSOLQXFVSA-N |