N-(4-{[4-(4-bromoanilino)-1-(2-methylpropyl)-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-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)furan-2-carboxamide
N-(4-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)furan-2-carboxamide
Compound characteristics
| Compound ID: | V028-6400 |
| Compound Name: | N-(4-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)furan-2-carboxamide |
| Molecular Weight: | 540.43 |
| Molecular Formula: | C25 H22 Br N3 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1ccco1)=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4622 |
| logD: | 5.4066 |
| logSw: | -5.3363 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.544 |
| InChI Key: | MDGDPMPNMPUOOJ-UHFFFAOYSA-N |