2-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate
2-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-5928 |
| Compound Name: | 2-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 571.71 |
| Molecular Formula: | C30 H38 F N3 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(Cc2ccc(cc2)F)C(NC(C)(C)C)=O)c(c1)OS(c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1051 |
| logD: | 6.0944 |
| logSw: | -5.5004 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.544 |
| InChI Key: | OPSQGUCZUUSGQH-UHFFFAOYSA-N |