N-(4-{[1-(4-fluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)cyclopentanecarboxamide
Chemical Structure Depiction of
N-(4-{[1-(4-fluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)cyclopentanecarboxamide
N-(4-{[1-(4-fluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)cyclopentanecarboxamide
Compound characteristics
| Compound ID: | V031-0086 |
| Compound Name: | N-(4-{[1-(4-fluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)cyclopentanecarboxamide |
| Molecular Weight: | 531.61 |
| Molecular Formula: | C29 H26 F N3 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)NC1=C(C(N(C1=O)c1ccc(cc1)F)=O)Sc1ccc(cc1)NC(C1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0288 |
| logD: | 5.0288 |
| logSw: | -4.5813 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.184 |
| InChI Key: | AGVSNUIZAVEMHU-UHFFFAOYSA-N |