N-(4-{[4-(4-methylanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-(4-{[4-(4-methylanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-(trifluoromethyl)benzamide
N-(4-{[4-(4-methylanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V026-5437 |
| Compound Name: | N-(4-{[4-(4-methylanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-(trifluoromethyl)benzamide |
| Molecular Weight: | 553.6 |
| Molecular Formula: | C29 H26 F3 N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1ccc(cc1)C(F)(F)F)=O)Nc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6519 |
| logD: | 6.6506 |
| logSw: | -5.6436 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.965 |
| InChI Key: | AWDOOKFSIVDFCZ-UHFFFAOYSA-N |