5-({tert-butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-({tert-butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
5-({tert-butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-3588 |
| Compound Name: | 5-({tert-butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 520.65 |
| Molecular Formula: | C25 H36 N4 O6 S |
| Salt: | not_available |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1cc(CN(CCN(C)C)C(NC(C)(C)C)=O)ccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5142 |
| logD: | -0.1865 |
| logSw: | -3.0857 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.272 |
| InChI Key: | RCNHKLSSMXULSK-UHFFFAOYSA-N |