3-methoxy-N-(3-{[4-(4-methoxyanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
3-methoxy-N-(3-{[4-(4-methoxyanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
3-methoxy-N-(3-{[4-(4-methoxyanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | V026-5217 |
| Compound Name: | 3-methoxy-N-(3-{[4-(4-methoxyanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 531.63 |
| Molecular Formula: | C29 H29 N3 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(C(=C(C1=O)Sc1cccc(c1)NC(c1cccc(c1)OC)=O)Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2911 |
| logD: | 5.289 |
| logSw: | -5.2876 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.053 |
| InChI Key: | KQHHJIWWLRRUMH-UHFFFAOYSA-N |