rel-(9aR,13aS)-1-(3-methoxybenzene-1-sulfonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
Chemical Structure Depiction of
rel-(9aR,13aS)-1-(3-methoxybenzene-1-sulfonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
rel-(9aR,13aS)-1-(3-methoxybenzene-1-sulfonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
Compound characteristics
| Compound ID: | S775-0251 |
| Compound Name: | rel-(9aR,13aS)-1-(3-methoxybenzene-1-sulfonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one |
| Molecular Weight: | 394.53 |
| Molecular Formula: | C20 H30 N2 O4 S |
| Smiles: | COc1cccc(c1)S(N1CCCCCCNC([C@@H]2CCCC[C@H]12)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9649 |
| logD: | 2.9649 |
| logSw: | -3.3628 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.891 |
| InChI Key: | RRQXOMLAFZOEBK-MOPGFXCFSA-N |