5-(diethylamino)-2-{[(2-methoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[(2-methoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
5-(diethylamino)-2-{[(2-methoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-1082 |
| Compound Name: | 5-(diethylamino)-2-{[(2-methoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 555.69 |
| Molecular Formula: | C29 H37 N3 O6 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(C(C)C)C(Nc2ccccc2OC)=O)c(c1)OS(c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9822 |
| logD: | 5.9714 |
| logSw: | -5.472 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.075 |
| InChI Key: | PEHAKQSGMZKFSR-UHFFFAOYSA-N |