N-(3-{[1-(3,4-dimethylphenyl)-4-(2-methoxy-5-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide
Chemical Structure Depiction of
N-(3-{[1-(3,4-dimethylphenyl)-4-(2-methoxy-5-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide
N-(3-{[1-(3,4-dimethylphenyl)-4-(2-methoxy-5-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide
Compound characteristics
| Compound ID: | V030-1006 |
| Compound Name: | N-(3-{[1-(3,4-dimethylphenyl)-4-(2-methoxy-5-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide |
| Molecular Weight: | 543.69 |
| Molecular Formula: | C31 H33 N3 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1cccc(c1)SC1=C(C(N(C1=O)c1ccc(C)c(C)c1)=O)Nc1cc(C)ccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2298 |
| logD: | 6.2298 |
| logSw: | -5.4011 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.073 |
| InChI Key: | VKTAMOPCDFASBL-UHFFFAOYSA-N |