4-({tert-butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-({tert-butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
4-({tert-butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-3942 |
| Compound Name: | 4-({tert-butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 482.04 |
| Molecular Formula: | C23 H32 Cl N3 O4 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1S(=O)(=O)Oc1ccc(CN(CCN(C)C)C(NC(C)(C)C)=O)cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1522 |
| logD: | 1.4516 |
| logSw: | -4.3143 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.293 |
| InChI Key: | PQBKTMSVMIORKE-UHFFFAOYSA-N |