5-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
5-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-9640 |
| Compound Name: | 5-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 438.52 |
| Molecular Formula: | C21 H27 F N2 O5 S |
| Smiles: | CCNC(N(CC(C)C)Cc1ccc(c(c1)OS(c1ccc(cc1)F)(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6507 |
| logD: | 3.6507 |
| logSw: | -3.9292 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.968 |
| InChI Key: | XWWPNXZGKJBVPW-UHFFFAOYSA-N |