2-{[2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
2-{[2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | C517-5444 |
| Compound Name: | 2-{[2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 503.53 |
| Molecular Formula: | C26 H21 N3 O6 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CCc2ccccc2C1CN1C(c2ccccc2C1=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4164 |
| logD: | 3.4164 |
| logSw: | -3.9804 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.043 |
| InChI Key: | LNHDQUWISBUOEW-QFIPXVFZSA-N |