N-[4-({1-(3-methoxypropyl)-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-[4-({1-(3-methoxypropyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide
N-[4-({1-(3-methoxypropyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide
Compound characteristics
| Compound ID: | V029-8677 |
| Compound Name: | N-[4-({1-(3-methoxypropyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide |
| Molecular Weight: | 509.67 |
| Molecular Formula: | C28 H35 N3 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(cc1)SC1=C(C(N(CCCOC)C1=O)=O)Nc1ccc(cc1)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4451 |
| logD: | 5.4438 |
| logSw: | -5.2316 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.344 |
| InChI Key: | KWPFBHRRHLVODG-UHFFFAOYSA-N |