N-{2-[4-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazin-1-yl]-2-oxoethyl}-4-methylbenzamide
Chemical Structure Depiction of
N-{2-[4-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazin-1-yl]-2-oxoethyl}-4-methylbenzamide
N-{2-[4-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazin-1-yl]-2-oxoethyl}-4-methylbenzamide
Compound characteristics
| Compound ID: | F537-0324 |
| Compound Name: | N-{2-[4-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazin-1-yl]-2-oxoethyl}-4-methylbenzamide |
| Molecular Weight: | 500.57 |
| Molecular Formula: | C24 H28 N4 O6 S |
| Smiles: | CCC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(CNC(c1ccc(C)cc1)=O)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0927 |
| logD: | 2.0923 |
| logSw: | -3.0224 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.366 |
| InChI Key: | SVPUVWRGAFNRJG-HXUWFJFHSA-N |