5-{[(cyclopropylmethyl)(methoxyacetyl)amino]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
5-{[(cyclopropylmethyl)(methoxyacetyl)amino]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
5-{[(cyclopropylmethyl)(methoxyacetyl)amino]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2040 |
| Compound Name: | 5-{[(cyclopropylmethyl)(methoxyacetyl)amino]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 449.52 |
| Molecular Formula: | C22 H27 N O7 S |
| Smiles: | COCC(N(CC1CC1)Cc1ccc(c(c1)OS(c1ccc(cc1)OC)(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4615 |
| logD: | 2.4615 |
| logSw: | -2.8272 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.891 |
| InChI Key: | IONWELRBNIUZQU-UHFFFAOYSA-N |