5-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}-2-methoxyphenyl ethanesulfonate
5-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V031-1966 |
| Compound Name: | 5-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C22 H28 N2 O6 S |
| Smiles: | CCS(=O)(=O)Oc1cc(CN(CC2CC2)C(Nc2ccccc2OC)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.5725 |
| logD: | 3.5725 |
| logSw: | -3.7464 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.28 |
| InChI Key: | VXEXEGXNBXMJIL-UHFFFAOYSA-N |