N-(4-{[4-(3,4-dimethylanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide
Chemical Structure Depiction of
N-(4-{[4-(3,4-dimethylanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide
N-(4-{[4-(3,4-dimethylanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | V030-2658 |
| Compound Name: | N-(4-{[4-(3,4-dimethylanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide |
| Molecular Weight: | 537.61 |
| Molecular Formula: | C31 H24 F N3 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)NC1=C(C(N(C1=O)c1ccccc1)=O)Sc1ccc(cc1)NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1429 |
| logD: | 6.1416 |
| logSw: | -5.5244 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.083 |
| InChI Key: | NMQFUPSGHWQVFP-UHFFFAOYSA-N |