ethyl 1-{[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetyl}piperidine-4-carboxylate
ethyl 1-{[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | E557-0321 |
| Compound Name: | ethyl 1-{[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetyl}piperidine-4-carboxylate |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C22 H29 N3 O7 S |
| Smiles: | CCOC(C1CCN(CC1)C(CN1C(COc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0851 |
| logD: | 1.0851 |
| logSw: | -2.5259 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 93.291 |
| InChI Key: | JDLWROWCPSQOOT-UHFFFAOYSA-N |