N-(3-{[4-(4-fluoroanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(3-{[4-(4-fluoroanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(3-{[4-(4-fluoroanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V029-8623 |
| Compound Name: | N-(3-{[4-(4-fluoroanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 553.57 |
| Molecular Formula: | C30 H20 F N3 O5 S |
| Salt: | not_available |
| Smiles: | C1Oc2ccc(cc2O1)C(Nc1cccc(c1)SC1=C(C(N(C1=O)c1ccccc1)=O)Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9687 |
| logD: | 4.9686 |
| logSw: | -4.9797 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.198 |
| InChI Key: | UHZXQRMEOXEANY-UHFFFAOYSA-N |