rel-(5aR,9aR)-1-benzyl-8-(1-ethyl-1H-pyrazole-4-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-1-benzyl-8-(1-ethyl-1H-pyrazole-4-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-1-benzyl-8-(1-ethyl-1H-pyrazole-4-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-1822 |
| Compound Name: | rel-(5aR,9aR)-1-benzyl-8-(1-ethyl-1H-pyrazole-4-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C20 H28 N4 O3 S |
| Smiles: | CCn1cc(cn1)S(N1CC[C@@H]2COCCN(Cc3ccccc3)[C@@H]2C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4296 |
| logD: | 1.4266 |
| logSw: | -2.2084 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.039 |
| InChI Key: | XREUIXOIUYOTEC-QUCCMNQESA-N |