rel-(5aR,9aR)-1-methyl-8-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-1-methyl-8-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-1-methyl-8-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-0420 |
| Compound Name: | rel-(5aR,9aR)-1-methyl-8-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 342.46 |
| Molecular Formula: | C15 H26 N4 O3 S |
| Smiles: | Cc1c(c(C)n(C)n1)S(N1CC[C@@H]2COCCN(C)[C@@H]2C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.6559 |
| logD: | -0.685 |
| logSw: | -1.0118 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.363 |
| InChI Key: | BQXVCPUBPXPVMO-KGLIPLIRSA-N |