3-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-1961 |
| Compound Name: | 3-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 419.51 |
| Molecular Formula: | C22 H26 F N O4 S |
| Smiles: | CC(C)CC(N(CC1CC1)Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6091 |
| logD: | 4.6091 |
| logSw: | -4.4306 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.207 |
| InChI Key: | HYWWNONHCZJCGQ-UHFFFAOYSA-N |