3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-(2-phenylethyl)butanamide
Chemical Structure Depiction of
3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-(2-phenylethyl)butanamide
3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-(2-phenylethyl)butanamide
Compound characteristics
| Compound ID: | E667-1125 |
| Compound Name: | 3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-(2-phenylethyl)butanamide |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C20 H22 N2 O5 S |
| Smiles: | CC(CC(NCCc1ccccc1)=O)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.939 |
| logD: | 0.9389 |
| logSw: | -2.3165 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.322 |
| InChI Key: | YHNZWWMNMINXMU-AWEZNQCLSA-N |