3-methyl-N-(3-{[4-(4-methylanilino)-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)butanamide
Chemical Structure Depiction of
3-methyl-N-(3-{[4-(4-methylanilino)-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)butanamide
3-methyl-N-(3-{[4-(4-methylanilino)-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)butanamide
Compound characteristics
| Compound ID: | V026-6588 |
| Compound Name: | 3-methyl-N-(3-{[4-(4-methylanilino)-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)butanamide |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C29 H29 N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1cccc(c1)SC1=C(C(N(C1=O)c1ccc(C)cc1)=O)Nc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7838 |
| logD: | 5.7838 |
| logSw: | -5.4181 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.141 |
| InChI Key: | MFQDATWKVNNXTJ-UHFFFAOYSA-N |