4-chloro-2-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
4-chloro-2-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-9463 |
| Compound Name: | 4-chloro-2-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 470.95 |
| Molecular Formula: | C21 H24 Cl F N2 O5 S |
| Smiles: | CCNC(N(CC1CCCO1)Cc1cc(ccc1OS(c1ccc(cc1)F)(=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5745 |
| logD: | 3.5745 |
| logSw: | -3.962 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.721 |
| InChI Key: | BTCPHVVGWOQTAE-GOSISDBHSA-N |