rel-(5aR,9aR)-1-benzyl-8-(2,3-dihydro-1H-indene-5-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-1-benzyl-8-(2,3-dihydro-1H-indene-5-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-1-benzyl-8-(2,3-dihydro-1H-indene-5-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-1819 |
| Compound Name: | rel-(5aR,9aR)-1-benzyl-8-(2,3-dihydro-1H-indene-5-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 426.58 |
| Molecular Formula: | C24 H30 N2 O3 S |
| Smiles: | C1Cc2ccc(cc2C1)S(N1CC[C@@H]2COCCN(Cc3ccccc3)[C@@H]2C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9136 |
| logD: | 3.9105 |
| logSw: | -3.979 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.823 |
| InChI Key: | WRDDPZIXSPATNE-VWNXMTODSA-N |