3-({N-[2-(dimethylamino)ethyl](propan-2-yl)carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-({N-[2-(dimethylamino)ethyl](propan-2-yl)carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-({N-[2-(dimethylamino)ethyl](propan-2-yl)carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V003-3217 |
| Compound Name: | 3-({N-[2-(dimethylamino)ethyl](propan-2-yl)carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 468.01 |
| Molecular Formula: | C22 H30 Cl N3 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)NC(N(CCN(C)C)Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7464 |
| logD: | 1.0457 |
| logSw: | -3.9692 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.444 |
| InChI Key: | GTNHWLINMAYJHA-UHFFFAOYSA-N |