N-(4-{[4-(4-bromoanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(4-{[4-(4-bromoanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide
N-(4-{[4-(4-bromoanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V029-7906 |
| Compound Name: | N-(4-{[4-(4-bromoanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide |
| Molecular Weight: | 606.52 |
| Molecular Formula: | C28 H20 Br N3 O4 S2 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)N1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1cccs1)=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9769 |
| logD: | 5.9767 |
| logSw: | -5.5821 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.645 |
| InChI Key: | FLVUJZPKDYOMNH-UHFFFAOYSA-N |