ethyl 1-[3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanoyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanoyl]piperidine-4-carboxylate
ethyl 1-[3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanoyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | E667-1077 |
| Compound Name: | ethyl 1-[3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)butanoyl]piperidine-4-carboxylate |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C20 H26 N2 O7 S |
| Smiles: | CCOC(C1CCN(CC1)C(CC(C)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6674 |
| logD: | 0.6673 |
| logSw: | -2.5702 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.156 |
| InChI Key: | MBFVQLUBMRFFCJ-ZDUSSCGKSA-N |