5-(diethylamino)-2-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
5-(diethylamino)-2-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2046 |
| Compound Name: | 5-(diethylamino)-2-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 491.65 |
| Molecular Formula: | C25 H37 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCNC(N(CC(C)C)Cc1ccc(cc1OS(c1ccc(cc1)OC)(=O)=O)N(CC)CC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8977 |
| logD: | 4.887 |
| logSw: | -4.6579 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.618 |
| InChI Key: | UZISCLQVFLJBDK-UHFFFAOYSA-N |