N-[3-({1-(4-methoxyphenyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide
Chemical Structure Depiction of
N-[3-({1-(4-methoxyphenyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide
N-[3-({1-(4-methoxyphenyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide
Compound characteristics
| Compound ID: | V025-8829 |
| Compound Name: | N-[3-({1-(4-methoxyphenyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide |
| Molecular Weight: | 543.69 |
| Molecular Formula: | C31 H33 N3 O4 S |
| Smiles: | CC(C)CC(Nc1cccc(c1)SC1=C(C(N(C1=O)c1ccc(cc1)OC)=O)Nc1ccc(cc1)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2576 |
| logD: | 6.2576 |
| logSw: | -5.5149 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.684 |
| InChI Key: | TYZXKJADGNKGQX-UHFFFAOYSA-N |