N-(3-{[4-(4-methoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide
Chemical Structure Depiction of
N-(3-{[4-(4-methoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide
N-(3-{[4-(4-methoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide
Compound characteristics
| Compound ID: | V028-5029 |
| Compound Name: | N-(3-{[4-(4-methoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide |
| Molecular Weight: | 531.63 |
| Molecular Formula: | C29 H29 N3 O5 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(Nc1cccc(c1)SC1=C(C(N(CCCOC)C1=O)=O)Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6053 |
| logD: | 4.6032 |
| logSw: | -4.2706 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.83 |
| InChI Key: | JZOYYIUKXOFPIR-UHFFFAOYSA-N |