4-bromo-N-(3-{[4-(4-fluoroanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
4-bromo-N-(3-{[4-(4-fluoroanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
4-bromo-N-(3-{[4-(4-fluoroanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | V030-2062 |
| Compound Name: | 4-bromo-N-(3-{[4-(4-fluoroanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 618.48 |
| Molecular Formula: | C30 H21 Br F N3 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)N1C(C(=C(C1=O)Sc1cccc(c1)NC(c1ccc(cc1)[Br])=O)Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9842 |
| logD: | 5.9833 |
| logSw: | -5.5706 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.626 |
| InChI Key: | GKWLAAUOTACMSR-UHFFFAOYSA-N |