N-(3-{[1-(4-fluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(3-{[1-(4-fluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(3-{[1-(4-fluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V031-2549 |
| Compound Name: | N-(3-{[1-(4-fluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 583.59 |
| Molecular Formula: | C31 H22 F N3 O6 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)NC1=C(C(N(C1=O)c1ccc(cc1)F)=O)Sc1cccc(c1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0727 |
| logD: | 5.0727 |
| logSw: | -4.7533 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.742 |
| InChI Key: | LKTNKTRQAZVUNO-UHFFFAOYSA-N |