rel-(5aR,9aR)-1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-1818 |
| Compound Name: | rel-(5aR,9aR)-1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 405.51 |
| Molecular Formula: | C20 H27 N3 O4 S |
| Smiles: | Cc1c(c(C)on1)S(N1CC[C@@H]2COCCN(Cc3ccccc3)[C@@H]2C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6829 |
| logD: | 1.6798 |
| logSw: | -2.2636 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.575 |
| InChI Key: | WPKLLKIOBMPXHY-MOPGFXCFSA-N |