5-{[3,5-dimethoxy-N-(propan-2-yl)benzamido]methyl}-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-{[3,5-dimethoxy-N-(propan-2-yl)benzamido]methyl}-2-methoxyphenyl ethanesulfonate
5-{[3,5-dimethoxy-N-(propan-2-yl)benzamido]methyl}-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V011-8937 |
| Compound Name: | 5-{[3,5-dimethoxy-N-(propan-2-yl)benzamido]methyl}-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C22 H29 N O7 S |
| Smiles: | CCS(=O)(=O)Oc1cc(CN(C(C)C)C(c2cc(cc(c2)OC)OC)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.2478 |
| logD: | 3.2478 |
| logSw: | -3.563 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.106 |
| InChI Key: | XPJTYDDAZNJFLF-UHFFFAOYSA-N |