N-(3-{[4-(4-bromoanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2-chlorobenzamide
Chemical Structure Depiction of
N-(3-{[4-(4-bromoanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2-chlorobenzamide
N-(3-{[4-(4-bromoanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2-chlorobenzamide
Compound characteristics
| Compound ID: | V029-9278 |
| Compound Name: | N-(3-{[4-(4-bromoanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2-chlorobenzamide |
| Molecular Weight: | 622.9 |
| Molecular Formula: | C29 H18 Br Cl F N3 O3 S |
| Salt: | not_available |
| Smiles: | c1ccc(c(c1)C(Nc1cccc(c1)SC1=C(C(N(C1=O)c1ccc(cc1)F)=O)Nc1ccc(cc1)[Br])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.4569 |
| logD: | 6.4561 |
| logSw: | -6.2803 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.083 |
| InChI Key: | JIJLRQOQEZYLRF-UHFFFAOYSA-N |