5-(diethylamino)-2-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 3,4-dichlorobenzene-1-sulfonate
5-(diethylamino)-2-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4795 |
| Compound Name: | 5-(diethylamino)-2-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 558.52 |
| Molecular Formula: | C25 H33 Cl2 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCNC(N(CC1CCCO1)Cc1ccc(cc1OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)N(CC)CC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.872 |
| logD: | 4.8612 |
| logSw: | -5.007 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.457 |
| InChI Key: | ZKMGOZZLJWTUOX-HXUWFJFHSA-N |