N-(4-{[4-(4-bromoanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methoxybenzamide
Chemical Structure Depiction of
N-(4-{[4-(4-bromoanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methoxybenzamide
N-(4-{[4-(4-bromoanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methoxybenzamide
Compound characteristics
| Compound ID: | V026-5449 |
| Compound Name: | N-(4-{[4-(4-bromoanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methoxybenzamide |
| Molecular Weight: | 618.48 |
| Molecular Formula: | C30 H21 Br F N3 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)C(Nc1ccc(cc1)SC1=C(C(N(C1=O)c1ccc(cc1)F)=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0933 |
| logD: | 6.0932 |
| logSw: | -5.5842 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.626 |
| InChI Key: | HMBKNUPBMAYQIK-UHFFFAOYSA-N |