N-(3-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-(3-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-(trifluoromethyl)benzamide
N-(3-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V029-3286 |
| Compound Name: | N-(3-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-(trifluoromethyl)benzamide |
| Molecular Weight: | 615.63 |
| Molecular Formula: | C30 H28 F3 N3 O6 S |
| Salt: | not_available |
| Smiles: | COCCCN1C(C(=C(C1=O)Sc1cccc(c1)NC(c1ccc(cc1)C(F)(F)F)=O)Nc1ccc(cc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1409 |
| logD: | 5.0877 |
| logSw: | -4.9466 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.763 |
| InChI Key: | DCAJOQZOFBFGBI-UHFFFAOYSA-N |