5-{[ethyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[ethyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
5-{[ethyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V011-5992 |
| Compound Name: | 5-{[ethyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 424.49 |
| Molecular Formula: | C20 H25 F N2 O5 S |
| Smiles: | CCNC(N(Cc1ccc(c(c1)OS(c1ccc(cc1)F)(=O)=O)OC)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.299 |
| logD: | 3.299 |
| logSw: | -3.7627 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.712 |
| InChI Key: | QYLHAEKYEXENFR-UHFFFAOYSA-N |