4-({[(4-fluorophenyl)methyl](4-methylbenzene-1-sulfonyl)amino}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({[(4-fluorophenyl)methyl](4-methylbenzene-1-sulfonyl)amino}methyl)phenyl ethanesulfonate
4-({[(4-fluorophenyl)methyl](4-methylbenzene-1-sulfonyl)amino}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V028-6819 |
| Compound Name: | 4-({[(4-fluorophenyl)methyl](4-methylbenzene-1-sulfonyl)amino}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 477.57 |
| Molecular Formula: | C23 H24 F N O5 S2 |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccc(cc2)F)S(c2ccc(C)cc2)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6416 |
| logD: | 4.6416 |
| logSw: | -4.3317 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.451 |
| InChI Key: | UNMZRPZKKMTARQ-UHFFFAOYSA-N |