N-(4-{[4-(4-bromoanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide
Chemical Structure Depiction of
N-(4-{[4-(4-bromoanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide
N-(4-{[4-(4-bromoanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | V030-4797 |
| Compound Name: | N-(4-{[4-(4-bromoanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide |
| Molecular Weight: | 648.51 |
| Molecular Formula: | C31 H23 Br F N3 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(C(Nc2ccc(cc2)SC2=C(C(N(C2=O)c2ccc(cc2)F)=O)Nc2ccc(cc2)[Br])=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 6.1355 |
| logD: | 6.134 |
| logSw: | -5.5772 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.257 |
| InChI Key: | UHXPEYXWNFTJQW-UHFFFAOYSA-N |