ethyl 4-[3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)propanoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)propanoyl]piperazine-1-carboxylate
ethyl 4-[3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)propanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | E511-0310 |
| Compound Name: | ethyl 4-[3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)propanoyl]piperazine-1-carboxylate |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C18 H23 N3 O7 S |
| Smiles: | CCOC(N1CCN(CC1)C(CCS(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2394 |
| logD: | -0.2395 |
| logSw: | -2.2724 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.446 |
| InChI Key: | YITMQUAVNRIDLI-UHFFFAOYSA-N |