N-(4-{[4-(3,4-dimethylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide
Chemical Structure Depiction of
N-(4-{[4-(3,4-dimethylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide
N-(4-{[4-(3,4-dimethylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | V026-9292 |
| Compound Name: | N-(4-{[4-(3,4-dimethylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide |
| Molecular Weight: | 533.62 |
| Molecular Formula: | C29 H28 F N3 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)NC1=C(C(N(CCCOC)C1=O)=O)Sc1ccc(cc1)NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3252 |
| logD: | 5.3237 |
| logSw: | -5.1878 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.286 |
| InChI Key: | SAJVTKHNPKQEGD-UHFFFAOYSA-N |