N-(4-{[4-(2,4-dimethoxyanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide
Chemical Structure Depiction of
N-(4-{[4-(2,4-dimethoxyanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide
N-(4-{[4-(2,4-dimethoxyanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide
Compound characteristics
| Compound ID: | V029-7895 |
| Compound Name: | N-(4-{[4-(2,4-dimethoxyanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide |
| Molecular Weight: | 549.62 |
| Molecular Formula: | C29 H28 F N3 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(cc1)SC1=C(C(N(C1=O)c1ccc(cc1)F)=O)Nc1ccc(cc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1439 |
| logD: | 5.1437 |
| logSw: | -5.0272 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.617 |
| InChI Key: | CHUKDMSHOOZXSN-UHFFFAOYSA-N |