N-(4-{[4-(4-bromoanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide
Chemical Structure Depiction of
N-(4-{[4-(4-bromoanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide
N-(4-{[4-(4-bromoanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | V030-0277 |
| Compound Name: | N-(4-{[4-(4-bromoanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide |
| Molecular Weight: | 596.5 |
| Molecular Formula: | C28 H26 Br N3 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)N1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1ccc(cc1OC)OC)=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6355 |
| logD: | 5.5824 |
| logSw: | -5.505 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.86 |
| InChI Key: | DMTCZFUBFWRCLU-UHFFFAOYSA-N |