N-{2-[1-(3-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl}-N'-[4-(methylsulfanyl)phenyl]-N-propylurea
Chemical Structure Depiction of
N-{2-[1-(3-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl}-N'-[4-(methylsulfanyl)phenyl]-N-propylurea
N-{2-[1-(3-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl}-N'-[4-(methylsulfanyl)phenyl]-N-propylurea
Compound characteristics
| Compound ID: | V028-3873 |
| Compound Name: | N-{2-[1-(3-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl}-N'-[4-(methylsulfanyl)phenyl]-N-propylurea |
| Molecular Weight: | 480.6 |
| Molecular Formula: | C26 H29 F N4 O2 S |
| Smiles: | CCCN(CC(N1CCn2cccc2C1c1cccc(c1)F)=O)C(Nc1ccc(cc1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1245 |
| logD: | 5.1245 |
| logSw: | -5.0668 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.115 |
| InChI Key: | QBNHSWDWBCZOQP-RUZDIDTESA-N |