4-chloro-2-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
4-chloro-2-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-5847 |
| Compound Name: | 4-chloro-2-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 485.02 |
| Molecular Formula: | C23 H30 Cl F N2 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)CC(N(CCN(C)C)Cc1cc(ccc1OS(c1ccc(cc1)F)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9242 |
| logD: | 4.0354 |
| logSw: | -4.9551 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.886 |
| InChI Key: | JNGAZVKJTCVMEQ-UHFFFAOYSA-N |