4-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl propane-2-sulfonate
4-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V031-2027 |
| Compound Name: | 4-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C22 H28 N2 O5 S |
| Smiles: | CC(C)S(=O)(=O)Oc1ccc(CN(CC2CC2)C(Nc2ccccc2OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2181 |
| logD: | 4.2181 |
| logSw: | -4.2345 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.488 |
| InChI Key: | MMWGAJDZXDRXLQ-UHFFFAOYSA-N |