N-(3-{[4-(2,4-dimethoxyanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(3-{[4-(2,4-dimethoxyanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide
N-(3-{[4-(2,4-dimethoxyanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | V029-8420 |
| Compound Name: | N-(3-{[4-(2,4-dimethoxyanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide |
| Molecular Weight: | 597.67 |
| Molecular Formula: | C33 H28 F N3 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(c(c1)OC)NC1=C(C(N(C1=O)c1ccc(cc1)F)=O)Sc1cccc(c1)NC(CCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6125 |
| logD: | 5.6124 |
| logSw: | -5.4394 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.345 |
| InChI Key: | BXMOOFZZJJWVFT-UHFFFAOYSA-N |