4-tert-butyl-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-tert-butyl-N-(3-{[4-(4-fluoroanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
4-tert-butyl-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: | V030-1617 |
| Compound Name: | 4-tert-butyl-N-(3-{[4-(4-fluoroanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 561.68 |
| Molecular Formula: | C31 H32 F N3 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1cccc(c1)SC1=C(C(N(CCCOC)C1=O)=O)Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0231 |
| logD: | 5.9675 |
| logSw: | -5.3793 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.286 |
| InChI Key: | TUQFZNGXKJBGTB-UHFFFAOYSA-N |