N-(3-{[1-(2,4-dimethoxyphenyl)-4-(4-fluoroanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide
Chemical Structure Depiction of
N-(3-{[1-(2,4-dimethoxyphenyl)-4-(4-fluoroanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide
N-(3-{[1-(2,4-dimethoxyphenyl)-4-(4-fluoroanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide
Compound characteristics
| Compound ID: | V030-0268 |
| Compound Name: | N-(3-{[1-(2,4-dimethoxyphenyl)-4-(4-fluoroanilino)-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(Nc1cccc(c1)SC1=C(C(N(C1=O)c1ccc(cc1OC)OC)=O)Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1025 |
| logD: | 5.1024 |
| logSw: | -4.9447 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.014 |
| InChI Key: | FEMSTMRAAJTDQL-UHFFFAOYSA-N |