3-(3,4-dimethylphenoxy)-N,N-diethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
Chemical Structure Depiction of
3-(3,4-dimethylphenoxy)-N,N-diethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
3-(3,4-dimethylphenoxy)-N,N-diethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
Compound characteristics
| Compound ID: | J030-0577 |
| Compound Name: | 3-(3,4-dimethylphenoxy)-N,N-diethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C25 H26 N2 O5 S |
| Smiles: | CCN(CC)S(c1cc2C(Nc3ccccc3Oc2cc1Oc1ccc(C)c(C)c1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5567 |
| logD: | 5.5342 |
| logSw: | -5.4034 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.271 |
| InChI Key: | ATYQYGONFJFFNG-UHFFFAOYSA-N |