butyl 2-{[5-(diethylamino)-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenoxy]sulfonyl}benzoate
Chemical Structure Depiction of
butyl 2-{[5-(diethylamino)-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenoxy]sulfonyl}benzoate
butyl 2-{[5-(diethylamino)-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenoxy]sulfonyl}benzoate
Compound characteristics
| Compound ID: | V029-4784 |
| Compound Name: | butyl 2-{[5-(diethylamino)-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenoxy]sulfonyl}benzoate |
| Molecular Weight: | 574.78 |
| Molecular Formula: | C31 H46 N2 O6 S |
| Salt: | not_available |
| Smiles: | CCCCOC(c1ccccc1S(=O)(=O)Oc1cc(ccc1CN(C(C)C)C(CC(C)(C)C)=O)N(CC)CC)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0697 |
| logD: | 7.059 |
| logSw: | -5.7036 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.57 |
| InChI Key: | PMJUZVHCGLLAAW-UHFFFAOYSA-N |