2-(diethylamino)ethyl 4-{[3-(2H-1,3-benzodioxol-5-yl)-3-oxopropyl]amino}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(diethylamino)ethyl 4-{[3-(2H-1,3-benzodioxol-5-yl)-3-oxopropyl]amino}benzoate--hydrogen chloride (1/1)
2-(diethylamino)ethyl 4-{[3-(2H-1,3-benzodioxol-5-yl)-3-oxopropyl]amino}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8018-0970 |
| Compound Name: | 2-(diethylamino)ethyl 4-{[3-(2H-1,3-benzodioxol-5-yl)-3-oxopropyl]amino}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 448.95 |
| Molecular Formula: | C23 H28 N2 O5 |
| Salt: | HCl |
| Smiles: | CCN(CC)CCOC(c1ccc(cc1)NCCC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3266 |
| logD: | 3.3582 |
| logSw: | -4.159 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.136 |
| InChI Key: | KRVKIBGDPROVJR-UHFFFAOYSA-N |