5-({tert-butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-({tert-butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
5-({tert-butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-5086 |
| Compound Name: | 5-({tert-butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 532.49 |
| Molecular Formula: | C23 H31 Cl2 N3 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)NC(N(CCN(C)C)Cc1ccc(c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4112 |
| logD: | 1.7106 |
| logSw: | -4.5983 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.01 |
| InChI Key: | JEMCVTAFPWQMND-UHFFFAOYSA-N |