ethyl 4-[3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)propanamido]benzoate
Chemical Structure Depiction of
ethyl 4-[3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)propanamido]benzoate
ethyl 4-[3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)propanamido]benzoate
Compound characteristics
| Compound ID: | E975-1135 |
| Compound Name: | ethyl 4-[3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)propanamido]benzoate |
| Molecular Weight: | 432.45 |
| Molecular Formula: | C20 H20 N2 O7 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CCS(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1319 |
| logD: | 2.131 |
| logSw: | -3.0724 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.772 |
| InChI Key: | VLEFRBIXBLTAEB-UHFFFAOYSA-N |