3-({N-[2-(dimethylamino)ethyl]-3-methylbutanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-({N-[2-(dimethylamino)ethyl]-3-methylbutanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-({N-[2-(dimethylamino)ethyl]-3-methylbutanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V003-3240 |
| Compound Name: | 3-({N-[2-(dimethylamino)ethyl]-3-methylbutanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 467.03 |
| Molecular Formula: | C23 H31 Cl N2 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(N(CCN(C)C)Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1954 |
| logD: | 3.3066 |
| logSw: | -4.3693 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.799 |
| InChI Key: | GZWYHKYWVVKJGQ-UHFFFAOYSA-N |