2-chloro-N-(4-{[4-(4-fluoroanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
2-chloro-N-(4-{[4-(4-fluoroanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
2-chloro-N-(4-{[4-(4-fluoroanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | V028-4402 |
| Compound Name: | 2-chloro-N-(4-{[4-(4-fluoroanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 540.01 |
| Molecular Formula: | C27 H23 Cl F N3 O4 S |
| Salt: | not_available |
| Smiles: | COCCCN1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1ccccc1[Cl])=O)Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7929 |
| logD: | 4.7373 |
| logSw: | -4.734 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.286 |
| InChI Key: | VUCQQCFXMGBTCR-UHFFFAOYSA-N |