3-({acetyl[(4-fluorophenyl)methyl]amino}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-({acetyl[(4-fluorophenyl)methyl]amino}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-({acetyl[(4-fluorophenyl)methyl]amino}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-3333 |
| Compound Name: | 3-({acetyl[(4-fluorophenyl)methyl]amino}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 461.94 |
| Molecular Formula: | C23 H21 Cl F N O4 S |
| Smiles: | CC(N(Cc1ccc(cc1)F)Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3591 |
| logD: | 4.3591 |
| logSw: | -4.4616 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.679 |
| InChI Key: | XBEOQVGIMBWFRZ-UHFFFAOYSA-N |