ethyl 1-{6-chloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{6-chloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl}piperidine-4-carboxylate
ethyl 1-{6-chloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | L310-0055 |
| Compound Name: | ethyl 1-{6-chloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl}piperidine-4-carboxylate |
| Molecular Weight: | 498.94 |
| Molecular Formula: | C20 H23 Cl N4 O7 S |
| Smiles: | CCOC(C1CCN(CC1)S(c1cc2c(cc1[Cl])N(Cc1nc(C)on1)C(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8006 |
| logD: | 1.8006 |
| logSw: | -2.8967 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 108.7 |
| InChI Key: | ROBKFEBOSVFPKC-UHFFFAOYSA-N |