methyl 3-[(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)amino]-4-methylbenzoate
Chemical Structure Depiction of
methyl 3-[(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)amino]-4-methylbenzoate
methyl 3-[(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)amino]-4-methylbenzoate
Compound characteristics
| Compound ID: | 4577-0698 |
| Compound Name: | methyl 3-[(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)amino]-4-methylbenzoate |
| Molecular Weight: | 363.39 |
| Molecular Formula: | C17 H17 N O6 S |
| Smiles: | Cc1ccc(cc1NS(c1ccc2c(c1)OCCO2)(=O)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.2106 |
| logD: | 2.2072 |
| logSw: | -2.801 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.187 |
| InChI Key: | YRHDAVZQMSEEIT-UHFFFAOYSA-N |