N-(4-{[4-(4-bromoanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide
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)-3-methoxybenzamide
N-(4-{[4-(4-bromoanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide
Compound characteristics
| Compound ID: | V030-0289 |
| Compound Name: | N-(4-{[4-(4-bromoanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide |
| Molecular Weight: | 566.47 |
| Molecular Formula: | C27 H24 Br N3 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)N1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1cccc(c1)OC)=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6731 |
| logD: | 5.6199 |
| logSw: | -5.5181 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.23 |
| InChI Key: | WZQRLISULZBEEO-UHFFFAOYSA-N |