5-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
5-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-2892 |
| Compound Name: | 5-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 438.52 |
| Molecular Formula: | C21 H27 F N2 O5 S |
| Smiles: | CCS(=O)(=O)Oc1cc(CN(Cc2ccc(cc2)F)C(NC(C)C)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.1242 |
| logD: | 3.1242 |
| logSw: | -3.5406 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.392 |
| InChI Key: | MBJZVVOAVRKJAH-UHFFFAOYSA-N |