N-{2-[1-(3-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl}-3-nitro-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
N-{2-[1-(3-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl}-3-nitro-N-(propan-2-yl)benzamide
N-{2-[1-(3-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl}-3-nitro-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | V006-9949 |
| Compound Name: | N-{2-[1-(3-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl}-3-nitro-N-(propan-2-yl)benzamide |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C25 H25 F N4 O4 |
| Smiles: | CC(C)N(CC(N1CCn2cccc2C1c1cccc(c1)F)=O)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0719 |
| logD: | 4.0719 |
| logSw: | -4.1134 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.441 |
| InChI Key: | XPFKZHGNJKLYRE-XMMPIXPASA-N |