ethyl 1-[N-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-methylglycyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[N-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-methylglycyl]piperidine-4-carboxylate
ethyl 1-[N-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-methylglycyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | K906-3933 |
| Compound Name: | ethyl 1-[N-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-methylglycyl]piperidine-4-carboxylate |
| Molecular Weight: | 473.93 |
| Molecular Formula: | C19 H24 Cl N3 O7 S |
| Smiles: | CCOC(C1CCN(CC1)C(CN(C)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7806 |
| logD: | 0.722 |
| logSw: | -2.8895 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.219 |
| InChI Key: | BQEXOAYAZFLGMW-UHFFFAOYSA-N |