3-(3,4-dimethylphenoxy)-8-methyl-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-(3,4-dimethylphenoxy)-8-methyl-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
3-(3,4-dimethylphenoxy)-8-methyl-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0969 |
| Compound Name: | 3-(3,4-dimethylphenoxy)-8-methyl-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C28 H30 N2 O5 S |
| Smiles: | CC1CCN(CC1)S(c1cc2C(Nc3cc(C)ccc3Oc2cc1Oc1ccc(C)c(C)c1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2876 |
| logD: | 6.2726 |
| logSw: | -5.3929 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.885 |
| InChI Key: | CHUKXYYRWFDVGI-UHFFFAOYSA-N |