N-(3-{[4-(3,4-dimethylanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-N'-(4-methoxyphenyl)urea
Chemical Structure Depiction of
N-(3-{[4-(3,4-dimethylanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-N'-(4-methoxyphenyl)urea
N-(3-{[4-(3,4-dimethylanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-N'-(4-methoxyphenyl)urea
Compound characteristics
| Compound ID: | V030-2356 |
| Compound Name: | N-(3-{[4-(3,4-dimethylanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-N'-(4-methoxyphenyl)urea |
| Molecular Weight: | 582.65 |
| Molecular Formula: | C32 H27 F N4 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)NC1=C(C(N(C1=O)c1ccc(cc1)F)=O)Sc1cccc(c1)NC(Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7882 |
| logD: | 6.7882 |
| logSw: | -5.7358 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.838 |
| InChI Key: | QHLACVMWVUGKTI-UHFFFAOYSA-N |