N-(4-{[4-(4-fluoroanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(4-{[4-(4-fluoroanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(4-{[4-(4-fluoroanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V026-9318 |
| Compound Name: | N-(4-{[4-(4-fluoroanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 549.58 |
| Molecular Formula: | C28 H24 F N3 O6 S |
| Salt: | not_available |
| Smiles: | COCCCN1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1ccc2c(c1)OCO2)=O)Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2602 |
| logD: | 4.2046 |
| logSw: | -4.2266 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.402 |
| InChI Key: | PMIOLEIRWARWPO-UHFFFAOYSA-N |