5-{[N-(butan-2-yl)(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[N-(butan-2-yl)(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
5-{[N-(butan-2-yl)(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-6759 |
| Compound Name: | 5-{[N-(butan-2-yl)(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 452.54 |
| Molecular Formula: | C22 H29 F N2 O5 S |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(c1ccc(cc1)F)(=O)=O)OC)C(NC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2545 |
| logD: | 4.2545 |
| logSw: | -4.2578 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.645 |
| InChI Key: | YYAUGUIWUCJKFG-INIZCTEOSA-N |