ethyl 4-[3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamido]piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamido]piperidine-1-carboxylate
ethyl 4-[3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamido]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E511-0641 |
| Compound Name: | ethyl 4-[3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)propanamido]piperidine-1-carboxylate |
| Molecular Weight: | 473.93 |
| Molecular Formula: | C19 H24 Cl N3 O7 S |
| Smiles: | CCOC(N1CCC(CC1)NC(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9266 |
| logD: | 0.9052 |
| logSw: | -2.8497 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.25 |
| InChI Key: | OHNCUXZMWGRZLJ-UHFFFAOYSA-N |