ethyl 1-[3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanoyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanoyl]piperidine-4-carboxylate
ethyl 1-[3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanoyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | E511-0557 |
| Compound Name: | ethyl 1-[3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanoyl]piperidine-4-carboxylate |
| Molecular Weight: | 458.92 |
| Molecular Formula: | C19 H23 Cl N2 O7 S |
| Smiles: | CCOC(C1CCN(CC1)C(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9243 |
| logD: | 0.9028 |
| logSw: | -2.8504 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.42 |
| InChI Key: | BWFREXVXUKMALW-UHFFFAOYSA-N |