3,4,5-trimethoxy-N-(3-{[4-(4-methoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
3,4,5-trimethoxy-N-(3-{[4-(4-methoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
3,4,5-trimethoxy-N-(3-{[4-(4-methoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | V028-5346 |
| Compound Name: | 3,4,5-trimethoxy-N-(3-{[4-(4-methoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 607.68 |
| Molecular Formula: | C31 H33 N3 O8 S |
| Salt: | not_available |
| Smiles: | COCCCN1C(C(=C(C1=O)Sc1cccc(c1)NC(c1cc(c(c(c1)OC)OC)OC)=O)Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9627 |
| logD: | 3.9606 |
| logSw: | -4.0853 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.808 |
| InChI Key: | YDZMTROZKRVOEI-UHFFFAOYSA-N |