N-(4-{[4-(4-methoxyanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide
Chemical Structure Depiction of
N-(4-{[4-(4-methoxyanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide
N-(4-{[4-(4-methoxyanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide
Compound characteristics
| Compound ID: | V026-5500 |
| Compound Name: | N-(4-{[4-(4-methoxyanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide |
| Molecular Weight: | 501.6 |
| Molecular Formula: | C28 H27 N3 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)N1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1ccc(C)cc1)=O)Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1828 |
| logD: | 5.1807 |
| logSw: | -5.0166 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.23 |
| InChI Key: | SSHRVLBRWNPELP-UHFFFAOYSA-N |