tert-butyl 4-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperazine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperazine-1-carboxylate
tert-butyl 4-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K906-9436 |
| Compound Name: | tert-butyl 4-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperazine-1-carboxylate |
| Molecular Weight: | 425.5 |
| Molecular Formula: | C19 H27 N3 O6 S |
| Smiles: | CC1C(Nc2cc(C)c(cc2O1)S(N1CCN(CC1)C(=O)OC(C)(C)C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6223 |
| logD: | 2.6217 |
| logSw: | -3.1584 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.448 |
| InChI Key: | FPQXKQARSXSWBD-CYBMUJFWSA-N |