methyl 4-[3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)propanamido]benzoate
Chemical Structure Depiction of
methyl 4-[3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)propanamido]benzoate
methyl 4-[3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)propanamido]benzoate
Compound characteristics
| Compound ID: | E975-1216 |
| Compound Name: | methyl 4-[3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)propanamido]benzoate |
| Molecular Weight: | 418.42 |
| Molecular Formula: | C19 H18 N2 O7 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(CCC(Nc1ccc(cc1)C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6213 |
| logD: | 1.6204 |
| logSw: | -2.5484 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.192 |
| InChI Key: | NEGPISXBOQVALJ-UHFFFAOYSA-N |