ethyl 3-{[N-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-methylglycyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[N-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-methylglycyl]amino}benzoate
ethyl 3-{[N-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-methylglycyl]amino}benzoate
Compound characteristics
| Compound ID: | K906-4067 |
| Compound Name: | ethyl 3-{[N-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-methylglycyl]amino}benzoate |
| Molecular Weight: | 481.91 |
| Molecular Formula: | C20 H20 Cl N3 O7 S |
| Smiles: | CCOC(c1cccc(c1)NC(CN(C)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7004 |
| logD: | 2.6418 |
| logSw: | -3.549 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.976 |
| InChI Key: | XDNQSHUNUIILRT-UHFFFAOYSA-N |