3-{({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)[2-(pyrrolidin-1-yl)ethyl]amino}-2-hydroxypropyl butanoate
Chemical Structure Depiction of
3-{({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)[2-(pyrrolidin-1-yl)ethyl]amino}-2-hydroxypropyl butanoate
3-{({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)[2-(pyrrolidin-1-yl)ethyl]amino}-2-hydroxypropyl butanoate
Compound characteristics
| Compound ID: | V009-5543 |
| Compound Name: | 3-{({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)[2-(pyrrolidin-1-yl)ethyl]amino}-2-hydroxypropyl butanoate |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C25 H36 F N3 O3 |
| Salt: | not_available |
| Smiles: | CCCC(=O)OCC(CN(CCN1CCCC1)Cc1cccn1Cc1ccc(cc1)F)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.436 |
| logD: | 1.4298 |
| logSw: | -3.2534 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.501 |
| InChI Key: | ZVKNEANDRFOEPB-DEOSSOPVSA-N |