3-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-9333 |
| Compound Name: | 3-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C25 H25 F N2 O5 S |
| Smiles: | COc1ccccc1NC(N(CC1CC1)Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1638 |
| logD: | 5.1638 |
| logSw: | -5.042 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.216 |
| InChI Key: | ISPOLEDATLURQS-UHFFFAOYSA-N |