N-(3-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(3-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
N-(3-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | V029-3323 |
| Compound Name: | N-(3-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide |
| Molecular Weight: | 592.63 |
| Molecular Formula: | C29 H28 N4 O8 S |
| Salt: | not_available |
| Smiles: | COCCCN1C(C(=C(C1=O)Sc1cccc(c1)NC(c1ccc(cc1)[N+]([O-])=O)=O)Nc1ccc(cc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1938 |
| logD: | 4.1407 |
| logSw: | -4.2841 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.144 |
| InChI Key: | ZJYVTYZLBXSYQB-UHFFFAOYSA-N |