4-fluoro-N-(3-{[4-(4-fluoroanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
4-fluoro-N-(3-{[4-(4-fluoroanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
4-fluoro-N-(3-{[4-(4-fluoroanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | V029-7920 |
| Compound Name: | 4-fluoro-N-(3-{[4-(4-fluoroanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 523.56 |
| Molecular Formula: | C27 H23 F2 N3 O4 S |
| Salt: | not_available |
| Smiles: | COCCCN1C(C(=C(C1=O)Sc1cccc(c1)NC(c1ccc(cc1)F)=O)Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2577 |
| logD: | 4.2021 |
| logSw: | -4.2292 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.286 |
| InChI Key: | ISSDRSIFALIWKK-UHFFFAOYSA-N |