6-[4-(4-tert-butylbenzoyl)piperazine-1-sulfonyl]-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[4-(4-tert-butylbenzoyl)piperazine-1-sulfonyl]-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
6-[4-(4-tert-butylbenzoyl)piperazine-1-sulfonyl]-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0309 |
| Compound Name: | 6-[4-(4-tert-butylbenzoyl)piperazine-1-sulfonyl]-2-ethyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C25 H31 N3 O5 S |
| Smiles: | CCC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(c1ccc(cc1)C(C)(C)C)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9591 |
| logD: | 3.9587 |
| logSw: | -3.9348 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.209 |
| InChI Key: | IZVIFKLQBOUWGE-OAQYLSRUSA-N |