propyl [6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]acetate
Chemical Structure Depiction of
propyl [6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]acetate
propyl [6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]acetate
Compound characteristics
| Compound ID: | F064-1261 |
| Compound Name: | propyl [6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]acetate |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C21 H22 N2 O6 S |
| Smiles: | CCCOC(CN1C(=O)Oc2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2941 |
| logD: | 3.2941 |
| logSw: | -3.8094 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.164 |
| InChI Key: | TXKSBDLNZIVBBY-UHFFFAOYSA-N |