N-(4-{[4-(4-bromoanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)furan-2-carboxamide
Chemical Structure Depiction of
N-(4-{[4-(4-bromoanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)furan-2-carboxamide
N-(4-{[4-(4-bromoanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)furan-2-carboxamide
Compound characteristics
| Compound ID: | V029-3288 |
| Compound Name: | N-(4-{[4-(4-bromoanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)furan-2-carboxamide |
| Molecular Weight: | 604.48 |
| Molecular Formula: | C29 H22 Br N3 O5 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(c1)N1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1ccco1)=O)Nc1ccc(cc1)[Br])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.7424 |
| logD: | 5.7423 |
| logSw: | -5.4677 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.99 |
| InChI Key: | BQNZPNBTCYOFOL-UHFFFAOYSA-N |