3-methyl-N-(4-{[4-(4-methylanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)butanamide
Chemical Structure Depiction of
3-methyl-N-(4-{[4-(4-methylanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)butanamide
3-methyl-N-(4-{[4-(4-methylanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)butanamide
Compound characteristics
| Compound ID: | V030-2352 |
| Compound Name: | 3-methyl-N-(4-{[4-(4-methylanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)butanamide |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C28 H27 N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(cc1)SC1=C(C(N(C1=O)c1ccccc1)=O)Nc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.348 |
| logD: | 5.348 |
| logSw: | -5.3014 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.141 |
| InChI Key: | NNYANSASHADMEJ-UHFFFAOYSA-N |