N-tert-butyl-N-{2-[1-(2-chlorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl}-4-fluoro-3-methylbenzamide
Chemical Structure Depiction of
N-tert-butyl-N-{2-[1-(2-chlorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl}-4-fluoro-3-methylbenzamide
N-tert-butyl-N-{2-[1-(2-chlorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl}-4-fluoro-3-methylbenzamide
Compound characteristics
| Compound ID: | V003-4612 |
| Compound Name: | N-tert-butyl-N-{2-[1-(2-chlorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl}-4-fluoro-3-methylbenzamide |
| Molecular Weight: | 482 |
| Molecular Formula: | C27 H29 Cl F N3 O2 |
| Smiles: | Cc1cc(ccc1F)C(N(CC(N1CCn2cccc2C1c1ccccc1[Cl])=O)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1901 |
| logD: | 5.1901 |
| logSw: | -5.6575 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.423 |
| InChI Key: | BGPMCIGQVBZASX-RUZDIDTESA-N |