N-(3-{[4-(4-fluoroanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide
Chemical Structure Depiction of
N-(3-{[4-(4-fluoroanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide
N-(3-{[4-(4-fluoroanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide
Compound characteristics
| Compound ID: | V028-2033 |
| Compound Name: | N-(3-{[4-(4-fluoroanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide |
| Molecular Weight: | 535.59 |
| Molecular Formula: | C28 H26 F N3 O5 S |
| Salt: | not_available |
| Smiles: | COCCCN1C(C(=C(C1=O)Sc1cccc(c1)NC(c1cccc(c1)OC)=O)Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2908 |
| logD: | 4.2352 |
| logSw: | -4.2529 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.83 |
| InChI Key: | VUAVELQTXQZZDH-UHFFFAOYSA-N |