N-(4-{[4-(4-bromoanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide
Chemical Structure Depiction of
N-(4-{[4-(4-bromoanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide
N-(4-{[4-(4-bromoanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | V030-2609 |
| Compound Name: | N-(4-{[4-(4-bromoanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide |
| Molecular Weight: | 588.45 |
| Molecular Formula: | C29 H19 Br F N3 O3 S |
| Salt: | not_available |
| Smiles: | c1ccc(cc1)N1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1ccc(cc1)F)=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9894 |
| logD: | 5.988 |
| logSw: | -6.1054 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.083 |
| InChI Key: | AWCQPHKBERDRLO-UHFFFAOYSA-N |