ethyl 4-({(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)[(4-methylphenyl)methyl]amino}methyl)benzoate
Chemical Structure Depiction of
ethyl 4-({(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)[(4-methylphenyl)methyl]amino}methyl)benzoate
ethyl 4-({(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)[(4-methylphenyl)methyl]amino}methyl)benzoate
Compound characteristics
| Compound ID: | K783-3577 |
| Compound Name: | ethyl 4-({(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)[(4-methylphenyl)methyl]amino}methyl)benzoate |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C26 H27 N O6 S |
| Smiles: | CCOC(c1ccc(CN(Cc2ccc(C)cc2)S(c2ccc3c(c2)OCCO3)(=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.676 |
| logD: | 4.676 |
| logSw: | -4.4441 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.919 |
| InChI Key: | VPDINZZWDVEUHC-UHFFFAOYSA-N |