ethyl 4-{[1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carbonyl]amino}benzoate
ethyl 4-{[1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | F184-0880 |
| Compound Name: | ethyl 4-{[1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 501.56 |
| Molecular Formula: | C24 H27 N3 O7 S |
| Smiles: | CCOC(c1ccc(cc1)NC(C1CCN(CC1)S(c1cc2c(cc1C)NC(CO2)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3761 |
| logD: | 2.3755 |
| logSw: | -2.8595 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.064 |
| InChI Key: | ZMRRDFRXOOIFJP-UHFFFAOYSA-N |