3-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
3-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-0414 |
| Compound Name: | 3-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 486.56 |
| Molecular Formula: | C25 H27 F N2 O5 S |
| Smiles: | CC(C)NC(N(Cc1ccc(cc1)F)Cc1cccc(c1)OS(c1ccc(cc1)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6688 |
| logD: | 4.6688 |
| logSw: | -4.5312 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.872 |
| InChI Key: | RPGQTECDPNMXNC-UHFFFAOYSA-N |