ethyl 4-[3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanoyl]piperazine-1-carboxylate
ethyl 4-[3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | E511-0558 |
| Compound Name: | ethyl 4-[3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanoyl]piperazine-1-carboxylate |
| Molecular Weight: | 459.9 |
| Molecular Formula: | C18 H22 Cl N3 O7 S |
| Smiles: | CCOC(N1CCN(CC1)C(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5495 |
| logD: | 0.528 |
| logSw: | -2.8299 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.446 |
| InChI Key: | NMFPJKVIWDGZIH-UHFFFAOYSA-N |