3-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]-N-ethyl-N,8-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
Chemical Structure Depiction of
3-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]-N-ethyl-N,8-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
3-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]-N-ethyl-N,8-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
Compound characteristics
| Compound ID: | J030-1133 |
| Compound Name: | 3-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]-N-ethyl-N,8-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide |
| Molecular Weight: | 569.64 |
| Molecular Formula: | C30 H27 N5 O5 S |
| Smiles: | CCN(C)S(c1cc2C(Nc3cc(C)ccc3Oc2cc1Oc1ccc(C)cc1n1nc2ccccc2n1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0878 |
| logD: | 6.0728 |
| logSw: | -5.4818 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.555 |
| InChI Key: | OCQJVIGEQKYRDO-UHFFFAOYSA-N |