4-[4-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazine-1-carbonyl]-3-fluorobenzonitrile
Chemical Structure Depiction of
4-[4-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazine-1-carbonyl]-3-fluorobenzonitrile
4-[4-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazine-1-carbonyl]-3-fluorobenzonitrile
Compound characteristics
| Compound ID: | F537-0437 |
| Compound Name: | 4-[4-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazine-1-carbonyl]-3-fluorobenzonitrile |
| Molecular Weight: | 472.49 |
| Molecular Formula: | C22 H21 F N4 O5 S |
| Smiles: | CCC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(c1ccc(C#N)cc1F)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3422 |
| logD: | 2.3418 |
| logSw: | -3.1557 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.265 |
| InChI Key: | RRHPVPBQPLOMOM-LJQANCHMSA-N |