5-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
5-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
5-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2099 |
| Compound Name: | 5-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 475.6 |
| Molecular Formula: | C25 H33 N O6 S |
| Smiles: | CC(C)(C)CC(N(CC1CC1)Cc1ccc(c(c1)OS(c1ccc(cc1)OC)(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7729 |
| logD: | 4.7729 |
| logSw: | -4.7339 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.468 |
| InChI Key: | ZJFSDVYJRILVAP-UHFFFAOYSA-N |