rel-(5aR,9aR)-8-(2,3-dihydro-1H-indene-5-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-8-(2,3-dihydro-1H-indene-5-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-8-(2,3-dihydro-1H-indene-5-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-1957 |
| Compound Name: | rel-(5aR,9aR)-8-(2,3-dihydro-1H-indene-5-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 427.56 |
| Molecular Formula: | C23 H29 N3 O3 S |
| Smiles: | C1Cc2ccc(cc2C1)S(N1CC[C@@H]2COCCN(Cc3cccnc3)[C@@H]2C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6004 |
| logD: | 2.5997 |
| logSw: | -2.457 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.341 |
| InChI Key: | BLLDPYWYAXVIAG-GGAORHGYSA-N |