rel-(5aR,9aR)-1-methyl-8-(quinoline-8-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-1-methyl-8-(quinoline-8-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-1-methyl-8-(quinoline-8-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-1674 |
| Compound Name: | rel-(5aR,9aR)-1-methyl-8-(quinoline-8-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C18 H23 N3 O3 S |
| Smiles: | CN1CCOC[C@H]2CCN(C[C@@H]12)S(c1cccc2cccnc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9589 |
| logD: | 0.9297 |
| logSw: | -2.0782 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.056 |
| InChI Key: | PUQVPKDLQMPNLN-CVEARBPZSA-N |