methyl 4-{[3-(2-methoxy-2-oxoethyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(2-methoxy-2-oxoethyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl]amino}benzoate
methyl 4-{[3-(2-methoxy-2-oxoethyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | F064-0219 |
| Compound Name: | methyl 4-{[3-(2-methoxy-2-oxoethyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl]amino}benzoate |
| Molecular Weight: | 420.4 |
| Molecular Formula: | C18 H16 N2 O8 S |
| Smiles: | COC(CN1C(=O)Oc2cc(ccc12)S(Nc1ccc(cc1)C(=O)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9948 |
| logD: | 1.961 |
| logSw: | -2.865 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.741 |
| InChI Key: | CQPMXAGCLFVRGV-UHFFFAOYSA-N |