4-butyl-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
4-butyl-N-(3-{[4-(4-methoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
4-butyl-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: | V028-5665 |
| Compound Name: | 4-butyl-N-(3-{[4-(4-methoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 573.71 |
| Molecular Formula: | C32 H35 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCCCc1ccc(cc1)C(Nc1cccc(c1)SC1=C(C(N(CCCOC)C1=O)=O)Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1511 |
| logD: | 6.149 |
| logSw: | -5.319 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.83 |
| InChI Key: | JRLLIGIHUWWKQF-UHFFFAOYSA-N |