5-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
5-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
5-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2088 |
| Compound Name: | 5-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 526.61 |
| Molecular Formula: | C27 H30 N2 O7 S |
| Smiles: | COc1ccc(cc1)S(=O)(=O)Oc1cc(CN(CC2CC2)C(Nc2ccccc2OC)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.812 |
| logD: | 4.812 |
| logSw: | -4.5963 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.477 |
| InChI Key: | NXEULXRGTNPIBF-UHFFFAOYSA-N |