N-(3-{[4-(4-bromoanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide
Chemical Structure Depiction of
N-(3-{[4-(4-bromoanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide
N-(3-{[4-(4-bromoanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide
Compound characteristics
| Compound ID: | V027-5610 |
| Compound Name: | N-(3-{[4-(4-bromoanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide |
| Molecular Weight: | 618.48 |
| Molecular Formula: | C30 H21 Br F N3 O4 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)C(Nc1cccc(c1)SC1=C(C(N(C1=O)c1ccc(cc1)F)=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0639 |
| logD: | 6.0638 |
| logSw: | -5.5932 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.626 |
| InChI Key: | KWBTUGYNYREHFK-UHFFFAOYSA-N |