ethyl 5-[3-(2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[3-(2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
ethyl 5-[3-(2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
Compound characteristics
| Compound ID: | G115-0625 |
| Compound Name: | ethyl 5-[3-(2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-4-methoxyphenyl]-1,2-oxazole-3-carboxylate |
| Molecular Weight: | 444.46 |
| Molecular Formula: | C21 H20 N2 O7 S |
| Smiles: | CCOC(c1cc(c2ccc(c(c2)S(N2CCOc3ccccc23)(=O)=O)OC)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3358 |
| logD: | 3.3358 |
| logSw: | -3.6702 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.261 |
| InChI Key: | XQIPNDKFCDUELN-UHFFFAOYSA-N |