3-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
3-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl ethanesulfonate
3-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V030-3260 |
| Compound Name: | 3-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C21 H26 N2 O5 S |
| Smiles: | CCS(=O)(=O)Oc1cccc(CN(CC2CC2)C(Nc2ccccc2OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7931 |
| logD: | 3.7931 |
| logSw: | -3.9253 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.563 |
| InChI Key: | KVMMGAFZEOLMEY-UHFFFAOYSA-N |