ethyl 3-({4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-carbonyl}amino)benzoate
Chemical Structure Depiction of
ethyl 3-({4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-carbonyl}amino)benzoate
ethyl 3-({4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | E632-0286 |
| Compound Name: | ethyl 3-({4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-carbonyl}amino)benzoate |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C25 H31 N3 O3 |
| Smiles: | CCOC(c1cccc(c1)NC(N1CCC(CC1)CN1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8324 |
| logD: | 3.2217 |
| logSw: | -4.5066 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.856 |
| InChI Key: | FLVPSSNFUUQZCD-UHFFFAOYSA-N |