rel-(5aR,9aR)-8-(2,3-dihydro-1H-indene-5-sulfonyl)-1-methyldecahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-8-(2,3-dihydro-1H-indene-5-sulfonyl)-1-methyldecahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-8-(2,3-dihydro-1H-indene-5-sulfonyl)-1-methyldecahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-1680 |
| Compound Name: | rel-(5aR,9aR)-8-(2,3-dihydro-1H-indene-5-sulfonyl)-1-methyldecahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 350.48 |
| Molecular Formula: | C18 H26 N2 O3 S |
| Smiles: | CN1CCOC[C@H]2CCN(C[C@@H]12)S(c1ccc2CCCc2c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.174 |
| logD: | 2.1449 |
| logSw: | -2.5672 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.81 |
| InChI Key: | HKRQUOWCONVPLK-AEFFLSMTSA-N |