N,N-diethyl-11-oxo-3-(thiomorpholin-4-yl)-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
Chemical Structure Depiction of
N,N-diethyl-11-oxo-3-(thiomorpholin-4-yl)-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
N,N-diethyl-11-oxo-3-(thiomorpholin-4-yl)-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
Compound characteristics
| Compound ID: | J030-0602 |
| Compound Name: | N,N-diethyl-11-oxo-3-(thiomorpholin-4-yl)-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide |
| Molecular Weight: | 447.57 |
| Molecular Formula: | C21 H25 N3 O4 S2 |
| Smiles: | CCN(CC)S(c1cc2C(Nc3ccccc3Oc2cc1N1CCSCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6847 |
| logD: | 3.6164 |
| logSw: | -3.9171 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.588 |
| InChI Key: | PPEINXITBWAZPF-UHFFFAOYSA-N |