N-(3-{[4-(3,4-dimethylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(3-{[4-(3,4-dimethylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
N-(3-{[4-(3,4-dimethylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | V027-9761 |
| Compound Name: | N-(3-{[4-(3,4-dimethylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide |
| Molecular Weight: | 560.63 |
| Molecular Formula: | C29 H28 N4 O6 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)NC1=C(C(N(CCCOC)C1=O)=O)Sc1cccc(c1)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1126 |
| logD: | 5.1116 |
| logSw: | -4.8871 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.668 |
| InChI Key: | QBCMEWHLHZLOSI-UHFFFAOYSA-N |